5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine

C17H33N3 — CID 146259458

IUPAC5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine
SMILESC=C(/C=C/C)NCCCCCCNC(=C)CCCCN
InChIInChI=1S/C17H33N3/c1-4-11-16(2)19-14-9-5-6-10-15-20-17(3)12-7-8-13-18/h4,11,19-20H,2-3,5-10,12-15,18H2,1H3/b11-4+
InChIKeyJVKYQHZAJKTFDP-NYYWCZLTSA-N
MW279.47 g/mol
LogP3.46
Rot. Bonds14

About 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine

5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine (PubChem CID 146259458) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine.

Molecular Properties

Compound Name5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine
PubChem CID146259458
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine
SMILESC=C(/C=C/C)NCCCCCCNC(=C)CCCCN
InChIInChI=1S/C17H33N3/c1-4-11-16(2)19-14-9-5-6-10-15-20-17(3)12-7-8-13-18/h4,11,19-20H,2-3,5-10,12-15,18H2,1H3/b11-4+
InChIKeyJVKYQHZAJKTFDP-NYYWCZLTSA-N
XLogP3.46
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.46
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 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one
CID 146330785
N-hexyloct-1-en-2-amine
CID 169110016
(2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol
CID 143524005
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906
N'-[(3E,7Z)-4-difluorophosphanyloxynona-1,3,7-trien-2-yl]butane-1,4-diamine
CID 174024419
N-butylhept-1-en-2-amine
CID 170620308
4-N-ethylpent-4-ene-1,4-diamine
CID 134601340
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361

Frequently Asked Questions

What is the IUPAC name of 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine?
The IUPAC name of 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine (CID 146259458) is 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine.
What is the SMILES notation for 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine?
The canonical SMILES for 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine is C=C(/C=C/C)NCCCCCCNC(=C)CCCCN.
What is the InChIKey of 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine?
The InChIKey is JVKYQHZAJKTFDP-NYYWCZLTSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-11-16(2)19-14-9-5-6-10-15-20-17(3)12-7-8-13-18/h4,11,19-20H,2-3,5-10,12-15,18H2,1H3/b11-4+.
What are the key properties of 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine?
5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine has a molecular weight of 279.47 g/mol, XLogP of 3.46, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine is sourced from PubChem (CID 146259458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).