(3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine

C18H33N — CID 144845833

IUPAC(3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(C(\C)=C/C)/N(CCC)CCCC(C)C
InChIInChI=1S/C18H33N/c1-8-13-19(14-11-12-15(4)5)18(16(6)9-2)17(7)10-3/h9-10,15H,2,8,11-14H2,1,3-7H3/b17-10-,18-16+
InChIKeyQEYFRYBNAXBXOI-UTTXNCOQSA-N
MW263.47 g/mol
LogP5.56
Rot. Bonds9

About (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine

(3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine (PubChem CID 144845833) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine
PubChem CID144845833
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(C(\C)=C/C)/N(CCC)CCCC(C)C
InChIInChI=1S/C18H33N/c1-8-13-19(14-11-12-15(4)5)18(16(6)9-2)17(7)10-3/h9-10,15H,2,8,11-14H2,1,3-7H3/b17-10-,18-16+
InChIKeyQEYFRYBNAXBXOI-UTTXNCOQSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine
CID 144845854
N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine
CID 145373050
ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 177155599
N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine
CID 146245891
2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
CID 54081174
ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
CID 144627723
N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide
CID 167204285
3,6-dimethyldeca-1,3-diene
CID 91478498
ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene
CID 143345850
(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol
CID 140523828
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine (CID 144845833) is (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine is C=C/C(C)=C(C(\C)=C/C)/N(CCC)CCCC(C)C.
What is the InChIKey of (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine?
The InChIKey is QEYFRYBNAXBXOI-UTTXNCOQSA-N. The full InChI is InChI=1S/C18H33N/c1-8-13-19(14-11-12-15(4)5)18(16(6)9-2)17(7)10-3/h9-10,15H,2,8,11-14H2,1,3-7H3/b17-10-,18-16+.
What are the key properties of (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine?
(3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine has a molecular weight of 263.47 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 144845833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).