2-methylimino-N-propylpropan-1-amine

C7H16N2 — CID 123509144

IUPAC2-methylimino-N-propylpropan-1-amine
SMILESCCCNC/C(C)=N/C
InChIInChI=1S/C7H16N2/c1-4-5-9-6-7(2)8-3/h9H,4-6H2,1-3H3/b8-7+
InChIKeyBSKYNKAOMGIRJQ-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.08
Rot. Bonds4

About 2-methylimino-N-propylpropan-1-amine

2-methylimino-N-propylpropan-1-amine (PubChem CID 123509144) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-methylimino-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methylimino-N-propylpropan-1-amine
PubChem CID123509144
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-methylimino-N-propylpropan-1-amine
SMILESCCCNC/C(C)=N/C
InChIInChI=1S/C7H16N2/c1-4-5-9-6-7(2)8-3/h9H,4-6H2,1-3H3/b8-7+
InChIKeyBSKYNKAOMGIRJQ-BQYQJAHWSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.08
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 2-methylimino-N-propylpropan-1-amine?
The IUPAC name of 2-methylimino-N-propylpropan-1-amine (CID 123509144) is 2-methylimino-N-propylpropan-1-amine.
What is the SMILES notation for 2-methylimino-N-propylpropan-1-amine?
The canonical SMILES for 2-methylimino-N-propylpropan-1-amine is CCCNC/C(C)=N/C.
What is the InChIKey of 2-methylimino-N-propylpropan-1-amine?
The InChIKey is BSKYNKAOMGIRJQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-5-9-6-7(2)8-3/h9H,4-6H2,1-3H3/b8-7+.
What are the key properties of 2-methylimino-N-propylpropan-1-amine?
2-methylimino-N-propylpropan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-N-propylpropan-1-amine is sourced from PubChem (CID 123509144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).