(Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine

C16H32N2 — CID 126570427

IUPAC(Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine
SMILESC=NN(CCCC(C)C)/C(=C\C)CCCC(C)C
InChIInChI=1S/C16H32N2/c1-7-16(12-8-10-14(2)3)18(17-6)13-9-11-15(4)5/h7,14-15H,6,8-13H2,1-5H3/b16-7-
InChIKeyOZTGCTWVLHSFHE-APSNUPSMSA-N
MW252.45 g/mol
LogP5.07
Rot. Bonds10

About (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine

(Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine (PubChem CID 126570427) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine.

Molecular Properties

Compound Name(Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine
PubChem CID126570427
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine
SMILESC=NN(CCCC(C)C)/C(=C\C)CCCC(C)C
InChIInChI=1S/C16H32N2/c1-7-16(12-8-10-14(2)3)18(17-6)13-9-11-15(4)5/h7,14-15H,6,8-13H2,1-5H3/b16-7-
InChIKeyOZTGCTWVLHSFHE-APSNUPSMSA-N
XLogP5.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine?
The IUPAC name of (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine (CID 126570427) is (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine.
What is the SMILES notation for (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine?
The canonical SMILES for (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine is C=NN(CCCC(C)C)/C(=C\C)CCCC(C)C.
What is the InChIKey of (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine?
The InChIKey is OZTGCTWVLHSFHE-APSNUPSMSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-16(12-8-10-14(2)3)18(17-6)13-9-11-15(4)5/h7,14-15H,6,8-13H2,1-5H3/b16-7-.
What are the key properties of (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine?
(Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine has a molecular weight of 252.45 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine is sourced from PubChem (CID 126570427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).