azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine

C20H29N3 — CID 145123998

IUPACazane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine
SMILESC=C/C1=C(C=C)/C(NC)=C(/N)c2ccccc2C(C(C)C)C1.N
InChIInChI=1S/C20H26N2.H3N/c1-6-14-12-18(13(3)4)16-10-8-9-11-17(16)19(21)20(22-5)15(14)7-2;/h6-11,13,18,22H,1-2,12,21H2,3-5H3;1H3/b15-14-,20-19-;
InChIKeyPUYMALUHJOJAHT-WJWJRQCVSA-N
MW311.47 g/mol
LogP4.51
Rot. Bonds4

About azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine

azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine (PubChem CID 145123998) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine.

Molecular Properties

Compound Nameazane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine
PubChem CID145123998
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Nameazane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine
SMILESC=C/C1=C(C=C)/C(NC)=C(/N)c2ccccc2C(C(C)C)C1.N
InChIInChI=1S/C20H26N2.H3N/c1-6-14-12-18(13(3)4)16-10-8-9-11-17(16)19(21)20(22-5)15(14)7-2;/h6-11,13,18,22H,1-2,12,21H2,3-5H3;1H3/b15-14-,20-19-;
InChIKeyPUYMALUHJOJAHT-WJWJRQCVSA-N
XLogP4.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-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

azane;[(5Z,7E)-5,6-diamino-7,8-bis(ethenyl)-9,10-dihydrobenzo[8]annulen-10-yl] acetate;ethane
CID 142291783
[(5Z,7E)-5-amino-6-[amino(methyl)amino]-7,8-bis(ethenyl)-9,10-dihydrobenzo[8]annulen-10-yl] acetate
CID 142291730
2,3-bis(ethenyl)-1-phenyl-1H-indene
CID 142104287
ethane;(11Z)-11-N-methyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine
CID 155745422
3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905
(3Z,5Z)-6-[amino(methyl)amino]-3,4-bis(ethenyl)-1-methyl-2H-1-benzazocin-5-amine;ethane
CID 153397876
1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene
CID 174513680
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
prop-2-enyl (2S)-2-[[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-methylbutanoate
CID 70219378
1-methyl-3-methylidene-1,2-dihydroindene
CID 59797400

Frequently Asked Questions

What is the IUPAC name of azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine?
The IUPAC name of azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine (CID 145123998) is azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine.
What is the SMILES notation for azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine?
The canonical SMILES for azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine is C=C/C1=C(C=C)/C(NC)=C(/N)c2ccccc2C(C(C)C)C1.N.
What is the InChIKey of azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine?
The InChIKey is PUYMALUHJOJAHT-WJWJRQCVSA-N. The full InChI is InChI=1S/C20H26N2.H3N/c1-6-14-12-18(13(3)4)16-10-8-9-11-17(16)19(21)20(22-5)15(14)7-2;/h6-11,13,18,22H,1-2,12,21H2,3-5H3;1H3/b15-14-,20-19-;.
What are the key properties of azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine?
azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine has a molecular weight of 311.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(5Z,7E)-7,8-bis(ethenyl)-6-N-methyl-10-propan-2-yl-9,10-dihydrobenzo[8]annulene-5,6-diamine is sourced from PubChem (CID 145123998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).