2-methylpropan-1-amine

C4H10N+ — CID 91233732

IUPAC2-methylpropan-1-amine
SMILESC[C+](C)CN
InChIInChI=1S/C4H10N/c1-4(2)3-5/h3,5H2,1-2H3/q+1
InChIKeyZOXBECRSQBAIRR-UHFFFAOYSA-N
MW72.13 g/mol
LogP0.56
Rot. Bonds1

About 2-methylpropan-1-amine

2-methylpropan-1-amine (PubChem CID 91233732) has the molecular formula C4H10N+ and a molecular weight of 72.13 g/mol. Its IUPAC name is 2-methylpropan-1-amine.

Molecular Properties

Compound Name2-methylpropan-1-amine
PubChem CID91233732
Molecular FormulaC4H10N+
Molecular Weight72.13 g/mol
Exact Mass72.08
IUPAC Name2-methylpropan-1-amine
SMILESC[C+](C)CN
InChIInChI=1S/C4H10N/c1-4(2)3-5/h3,5H2,1-2H3/q+1
InChIKeyZOXBECRSQBAIRR-UHFFFAOYSA-N
XLogP0.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-amine?
The IUPAC name of 2-methylpropan-1-amine (CID 91233732) is 2-methylpropan-1-amine.
What is the SMILES notation for 2-methylpropan-1-amine?
The canonical SMILES for 2-methylpropan-1-amine is C[C+](C)CN.
What is the InChIKey of 2-methylpropan-1-amine?
The InChIKey is ZOXBECRSQBAIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N/c1-4(2)3-5/h3,5H2,1-2H3/q+1.
What are the key properties of 2-methylpropan-1-amine?
2-methylpropan-1-amine has a molecular weight of 72.13 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-amine is sourced from PubChem (CID 91233732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).