3-(2-methylpentan-3-ylimino)prop-1-en-1-amine

C9H18N2 — CID 174034615

IUPAC3-(2-methylpentan-3-ylimino)prop-1-en-1-amine
SMILESCCC(/N=C/C=CN)C(C)C
InChIInChI=1S/C9H18N2/c1-4-9(8(2)3)11-7-5-6-10/h5-9H,4,10H2,1-3H3/b6-5?,11-7+
InChIKeyKNHNCMWHELNJMX-OIGRYENSSA-N
MW154.26 g/mol
LogP1.96
Rot. Bonds4

About 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine

3-(2-methylpentan-3-ylimino)prop-1-en-1-amine (PubChem CID 174034615) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(2-methylpentan-3-ylimino)prop-1-en-1-amine
PubChem CID174034615
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(2-methylpentan-3-ylimino)prop-1-en-1-amine
SMILESCCC(/N=C/C=CN)C(C)C
InChIInChI=1S/C9H18N2/c1-4-9(8(2)3)11-7-5-6-10/h5-9H,4,10H2,1-3H3/b6-5?,11-7+
InChIKeyKNHNCMWHELNJMX-OIGRYENSSA-N
XLogP1.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.96
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-methylpentan-3-ylimino)prop-1-en-1-amine?
The IUPAC name of 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine (CID 174034615) is 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine.
What is the SMILES notation for 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine?
The canonical SMILES for 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine is CCC(/N=C/C=CN)C(C)C.
What is the InChIKey of 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine?
The InChIKey is KNHNCMWHELNJMX-OIGRYENSSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-9(8(2)3)11-7-5-6-10/h5-9H,4,10H2,1-3H3/b6-5?,11-7+.
What are the key properties of 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine?
3-(2-methylpentan-3-ylimino)prop-1-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-ylimino)prop-1-en-1-amine is sourced from PubChem (CID 174034615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).