4-(2-methylpropylimino)-N-propylpent-2-en-1-amine

C12H24N2 — CID 175434015

IUPAC4-(2-methylpropylimino)-N-propylpent-2-en-1-amine
SMILESCCCNCC=C/C(C)=N/CC(C)C
InChIInChI=1S/C12H24N2/c1-5-8-13-9-6-7-12(4)14-10-11(2)3/h6-7,11,13H,5,8-10H2,1-4H3/b7-6?,14-12+
InChIKeyQYATUKONJUBLCZ-SUIRIRJGSA-N
MW196.34 g/mol
LogP2.66
Rot. Bonds7

About 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine

4-(2-methylpropylimino)-N-propylpent-2-en-1-amine (PubChem CID 175434015) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine.

Molecular Properties

Compound Name4-(2-methylpropylimino)-N-propylpent-2-en-1-amine
PubChem CID175434015
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-(2-methylpropylimino)-N-propylpent-2-en-1-amine
SMILESCCCNCC=C/C(C)=N/CC(C)C
InChIInChI=1S/C12H24N2/c1-5-8-13-9-6-7-12(4)14-10-11(2)3/h6-7,11,13H,5,8-10H2,1-4H3/b7-6?,14-12+
InChIKeyQYATUKONJUBLCZ-SUIRIRJGSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine?
The IUPAC name of 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine (CID 175434015) is 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine.
What is the SMILES notation for 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine?
The canonical SMILES for 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine is CCCNCC=C/C(C)=N/CC(C)C.
What is the InChIKey of 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine?
The InChIKey is QYATUKONJUBLCZ-SUIRIRJGSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-13-9-6-7-12(4)14-10-11(2)3/h6-7,11,13H,5,8-10H2,1-4H3/b7-6?,14-12+.
What are the key properties of 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine?
4-(2-methylpropylimino)-N-propylpent-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylimino)-N-propylpent-2-en-1-amine is sourced from PubChem (CID 175434015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).