(1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine

C31H44N4 — CID 146037613

IUPAC(1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine
SMILESCCC1=C\C=C2/NC(C/C(N)=C(C)/C(C)=C/C=c3/c(C)c(CC)/c(n3C)=C/C(N)=C/1C)C(C)=C2C
InChIInChI=1S/C31H44N4/c1-10-24-13-14-28-20(5)21(6)29(34-28)16-26(32)19(4)18(3)12-15-30-23(8)25(11-2)31(35(30)9)17-27(33)22(24)7/h12-15,17,29,34H,10-11,16,32-33H2,1-9H3/b18-12+,24-13+,26-19-,27-22-,28-14-,30-15-,31-17-
InChIKeyDFLFVYSPENPGPB-FMPHSSFDSA-N
MW472.72 g/mol
LogP4.80
Rot. Bonds2

About (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine

(1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine (PubChem CID 146037613) has the molecular formula C31H44N4 and a molecular weight of 472.72 g/mol. Its IUPAC name is (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine.

Molecular Properties

Compound Name(1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine
PubChem CID146037613
Molecular FormulaC31H44N4
Molecular Weight472.72 g/mol
Exact Mass472.36
IUPAC Name(1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine
SMILESCCC1=C\C=C2/NC(C/C(N)=C(C)/C(C)=C/C=c3/c(C)c(CC)/c(n3C)=C/C(N)=C/1C)C(C)=C2C
InChIInChI=1S/C31H44N4/c1-10-24-13-14-28-20(5)21(6)29(34-28)16-26(32)19(4)18(3)12-15-30-23(8)25(11-2)31(35(30)9)17-27(33)22(24)7/h12-15,17,29,34H,10-11,16,32-33H2,1-9H3/b18-12+,24-13+,26-19-,27-22-,28-14-,30-15-,31-17-
InChIKeyDFLFVYSPENPGPB-FMPHSSFDSA-N
XLogP4.80
TPSA69.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.72
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine
CID 146397201
3-ethyl-2-[[[(5Z,7Z)-8-fluoro-6,7-dimethylocta-5,7-dien-3-yl]amino]methyl]-N-prop-1-en-2-ylcyclopenta-1,3-dien-1-amine
CID 169956088
(4S,5E)-2-N-[(2S)-butan-2-yl]-2-N-butyl-5-ethyl-6-fluoro-4-N-hex-1-en-2-ylhepta-1,5-diene-2,4-diamine
CID 170227261
(1Z,3Z,5E,7Z,13Z,15E,17Z)-4,5,9,10,14,15,19,20,22-nonamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine
CID 168355690
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
4-N-[3-(dibutylamino)propyl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598922
1-N,1-N-diethyl-4-N-[(3E,5E)-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]pentane-1,4-diamine
CID 88900020
2,6-Dimethyl-1,5,6,7,8,8a-hexahydropyrrolo[3,2-f]indole
CID 89011592
N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085326
(4E,6E)-3,7-dimethyl-8-(1,4,7,10-tetrazacyclododec-2-yl)octa-1,4,6-trien-4-amine
CID 89132972
5-[(2Z)-4-(diethylamino)penta-2,4-dien-2-yl]-2,3,6,7-tetrahydro-1H-azepin-4-amine
CID 89260938
(6-Methyl-2-propyl-1,2-dihydropyridin-3-yl)methanamine
CID 89542632

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine?
The IUPAC name of (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine (CID 146037613) is (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine.
What is the SMILES notation for (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine?
The canonical SMILES for (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine is CCC1=C\C=C2/NC(C/C(N)=C(C)/C(C)=C/C=c3/c(C)c(CC)/c(n3C)=C/C(N)=C/1C)C(C)=C2C.
What is the InChIKey of (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine?
The InChIKey is DFLFVYSPENPGPB-FMPHSSFDSA-N. The full InChI is InChI=1S/C31H44N4/c1-10-24-13-14-28-20(5)21(6)29(34-28)16-26(32)19(4)18(3)12-15-30-23(8)25(11-2)31(35(30)9)17-27(33)22(24)7/h12-15,17,29,34H,10-11,16,32-33H2,1-9H3/b18-12+,24-13+,26-19-,27-22-,28-14-,30-15-,31-17-.
What are the key properties of (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine?
(1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine has a molecular weight of 472.72 g/mol, XLogP of 4.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E,7Z,13Z,15E,17Z)-5,20-diethyl-4,9,10,14,15,19,21-heptamethyl-21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,13,15,17,19-nonaene-3,13-diamine is sourced from PubChem (CID 146037613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).