N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine

C24H45N3 — CID 135231892

IUPACN-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine
SMILESC=C/C=C(\C)CCC(=C)NCCCCCCNCCCNC1CCCCC1
InChIInChI=1S/C24H45N3/c1-4-13-22(2)16-17-23(3)26-20-11-6-5-10-18-25-19-12-21-27-24-14-8-7-9-15-24/h4,13,24-27H,1,3,5-12,14-21H2,2H3/b22-13+
InChIKeyXUTGTHUSVNMOMY-LPYMAVHISA-N
MW375.65 g/mol
LogP5.46
Rot. Bonds17

About N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine

N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine (PubChem CID 135231892) has the molecular formula C24H45N3 and a molecular weight of 375.65 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine
PubChem CID135231892
Molecular FormulaC24H45N3
Molecular Weight375.65 g/mol
Exact Mass375.36
IUPAC NameN-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine
SMILESC=C/C=C(\C)CCC(=C)NCCCCCCNCCCNC1CCCCC1
InChIInChI=1S/C24H45N3/c1-4-13-22(2)16-17-23(3)26-20-11-6-5-10-18-25-19-12-21-27-24-14-8-7-9-15-24/h4,13,24-27H,1,3,5-12,14-21H2,2H3/b22-13+
InChIKeyXUTGTHUSVNMOMY-LPYMAVHISA-N
XLogP5.46
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.65
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine with MolForge

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Related Compounds

9-Aminooctahydroacridine
CID 69538366
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
N-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-2,6-dihydro-1H-pyridin-4-yl]ethyl]henicos-1-en-2-amine
CID 137414330
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
CID 156821650
1-[3-(1-aminoethenyl)-2-ethylcyclohepta-1,3,6-trien-1-yl]-N-(3-fluoropropyl)propan-2-amine
CID 166750191
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940
(1E)-3-N-cyclohexyl-2-ethenyl-1-N-(4-fluorocyclohepta-1,3,5-trien-1-yl)buta-1,3-diene-1,3-diamine
CID 167055866
(E)-2-N-[1-(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)ethyl]-1-N-[(3Z)-5-methylidenenona-1,3-dien-4-yl]prop-1-ene-1,2-diamine
CID 167146945
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
(3Z)-1-N-[(4Z,6Z,10Z,12Z)-4-ethylidene-8-methylidene-12-(trifluoromethyl)hexadeca-6,10,12-trienyl]-7-N-propylocta-3,7-diene-1,7-diamine
CID 173773550
4-[2-[(3Z,6Z)-2-fluoroocta-3,6-dienyl]-1H-pyridin-4-yl]-N-methyl-N-propylbutan-1-amine
CID 176538907
(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

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine?
The IUPAC name of N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine (CID 135231892) is N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine.
What is the SMILES notation for N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine?
The canonical SMILES for N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine is C=C/C=C(\C)CCC(=C)NCCCCCCNCCCNC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine?
The InChIKey is XUTGTHUSVNMOMY-LPYMAVHISA-N. The full InChI is InChI=1S/C24H45N3/c1-4-13-22(2)16-17-23(3)26-20-11-6-5-10-18-25-19-12-21-27-24-14-8-7-9-15-24/h4,13,24-27H,1,3,5-12,14-21H2,2H3/b22-13+.
What are the key properties of N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine?
N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine has a molecular weight of 375.65 g/mol, XLogP of 5.46, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)propyl]-N'-[(5E)-5-methylocta-1,5,7-trien-2-yl]hexane-1,6-diamine is sourced from PubChem (CID 135231892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).