(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine

C15H31N3 — CID 143845116

IUPAC(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
SMILESC=NN(/C=C(\N)CCCCCC)CCCC(C)C
InChIInChI=1S/C15H31N3/c1-5-6-7-8-11-15(16)13-18(17-4)12-9-10-14(2)3/h13-14H,4-12,16H2,1-3H3/b15-13-
InChIKeyPARXDQBFWVAULA-SQFISAMPSA-N
MW253.43 g/mol
LogP4.11
Rot. Bonds11

About (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine

(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine (PubChem CID 143845116) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
PubChem CID143845116
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
SMILESC=NN(/C=C(\N)CCCCCC)CCCC(C)C
InChIInChI=1S/C15H31N3/c1-5-6-7-8-11-15(16)13-18(17-4)12-9-10-14(2)3/h13-14H,4-12,16H2,1-3H3/b15-13-
InChIKeyPARXDQBFWVAULA-SQFISAMPSA-N
XLogP4.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine (CID 143845116) is (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine is C=NN(/C=C(\N)CCCCCC)CCCC(C)C.
What is the InChIKey of (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
The InChIKey is PARXDQBFWVAULA-SQFISAMPSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-6-7-8-11-15(16)13-18(17-4)12-9-10-14(2)3/h13-14H,4-12,16H2,1-3H3/b15-13-.
What are the key properties of (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine has a molecular weight of 253.43 g/mol, XLogP of 4.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine is sourced from PubChem (CID 143845116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).