(E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine

C26H48N2 — CID 143280812

IUPAC(E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine
SMILESC/C=C(\N=C(C)\C(C)=C\CC(C)N(CCC)C(CCC)CCC)C(C)=CCC
InChIInChI=1S/C26H48N2/c1-10-15-22(7)26(14-5)27-24(9)21(6)18-19-23(8)28(20-13-4)25(16-11-2)17-12-3/h14-15,18,23,25H,10-13,16-17,19-20H2,1-9H3/b21-18+,22-15?,26-14-,27-24+
InChIKeyLHOUWRAMNGOVJA-KAQSFLGRSA-N
MW388.68 g/mol
LogP8.11
Rot. Bonds14

About (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine

(E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine (PubChem CID 143280812) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine.

Molecular Properties

Compound Name(E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine
PubChem CID143280812
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC Name(E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine
SMILESC/C=C(\N=C(C)\C(C)=C\CC(C)N(CCC)C(CCC)CCC)C(C)=CCC
InChIInChI=1S/C26H48N2/c1-10-15-22(7)26(14-5)27-24(9)21(6)18-19-23(8)28(20-13-4)25(16-11-2)17-12-3/h14-15,18,23,25H,10-13,16-17,19-20H2,1-9H3/b21-18+,22-15?,26-14-,27-24+
InChIKeyLHOUWRAMNGOVJA-KAQSFLGRSA-N
XLogP8.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine?
The IUPAC name of (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine (CID 143280812) is (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine.
What is the SMILES notation for (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine?
The canonical SMILES for (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine is C/C=C(\N=C(C)\C(C)=C\CC(C)N(CCC)C(CCC)CCC)C(C)=CCC.
What is the InChIKey of (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine?
The InChIKey is LHOUWRAMNGOVJA-KAQSFLGRSA-N. The full InChI is InChI=1S/C26H48N2/c1-10-15-22(7)26(14-5)27-24(9)21(6)18-19-23(8)28(20-13-4)25(16-11-2)17-12-3/h14-15,18,23,25H,10-13,16-17,19-20H2,1-9H3/b21-18+,22-15?,26-14-,27-24+.
What are the key properties of (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine?
(E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine has a molecular weight of 388.68 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-heptan-4-yl-5-methyl-6-[(2Z)-4-methylhepta-2,4-dien-3-yl]imino-N-propylhept-4-en-2-amine is sourced from PubChem (CID 143280812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).