(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine

C16H30N2 — CID 171553943

IUPAC(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine
SMILESC=C(C)/C=C\C(NC)C(=C)NC(CC)CCCC
InChIInChI=1S/C16H30N2/c1-7-9-10-15(8-2)18-14(5)16(17-6)12-11-13(3)4/h11-12,15-18H,3,5,7-10H2,1-2,4,6H3/b12-11-
InChIKeyZVJXLHWDJCXTPP-QXMHVHEDSA-N
MW250.43 g/mol
LogP3.78
Rot. Bonds10

About (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine

(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine (PubChem CID 171553943) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine.

Molecular Properties

Compound Name(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine
PubChem CID171553943
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine
SMILESC=C(C)/C=C\C(NC)C(=C)NC(CC)CCCC
InChIInChI=1S/C16H30N2/c1-7-9-10-15(8-2)18-14(5)16(17-6)12-11-13(3)4/h11-12,15-18H,3,5,7-10H2,1-2,4,6H3/b12-11-
InChIKeyZVJXLHWDJCXTPP-QXMHVHEDSA-N
XLogP3.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine with MolForge

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Related Compounds

(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
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CID 178036586
2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene
CID 123243891
3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol
CID 144507309
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N-tetradecan-3-ylprop-2-enamide
CID 54185556
2-(methylamino)-N-pentadecan-3-ylacetamide
CID 156639958
3-(methylamino)heptan-1-ol
CID 13033821
N-prop-2-enylheptan-3-amine
CID 63946261
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
CID 142109813

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine?
The IUPAC name of (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine (CID 171553943) is (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine.
What is the SMILES notation for (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine?
The canonical SMILES for (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine is C=C(C)/C=C\C(NC)C(=C)NC(CC)CCCC.
What is the InChIKey of (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine?
The InChIKey is ZVJXLHWDJCXTPP-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-9-10-15(8-2)18-14(5)16(17-6)12-11-13(3)4/h11-12,15-18H,3,5,7-10H2,1-2,4,6H3/b12-11-.
What are the key properties of (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine?
(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine is sourced from PubChem (CID 171553943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).