3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine

C13H24N2 — CID 131971008

IUPAC3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine
SMILESC=C/C(=N\C=C(C)C)C(C)NCC(C)C
InChIInChI=1S/C13H24N2/c1-7-13(15-9-11(4)5)12(6)14-8-10(2)3/h7,9-10,12,14H,1,8H2,2-6H3/b15-13+
InChIKeyQOJFRHYQHGLMHN-FYWRMAATSA-N
MW208.35 g/mol
LogP3.17
Rot. Bonds6

About 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine

3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine (PubChem CID 131971008) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine.

Molecular Properties

Compound Name3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine
PubChem CID131971008
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine
SMILESC=C/C(=N\C=C(C)C)C(C)NCC(C)C
InChIInChI=1S/C13H24N2/c1-7-13(15-9-11(4)5)12(6)14-8-10(2)3/h7,9-10,12,14H,1,8H2,2-6H3/b15-13+
InChIKeyQOJFRHYQHGLMHN-FYWRMAATSA-N
XLogP3.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine?
The IUPAC name of 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine (CID 131971008) is 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine.
What is the SMILES notation for 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine?
The canonical SMILES for 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine is C=C/C(=N\C=C(C)C)C(C)NCC(C)C.
What is the InChIKey of 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine?
The InChIKey is QOJFRHYQHGLMHN-FYWRMAATSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-13(15-9-11(4)5)12(6)14-8-10(2)3/h7,9-10,12,14H,1,8H2,2-6H3/b15-13+.
What are the key properties of 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine?
3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine is sourced from PubChem (CID 131971008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).