3-(2-methylpropylimino)butan-1-amine

C8H18N2 — CID 57276315

IUPAC3-(2-methylpropylimino)butan-1-amine
SMILESC/C(CCN)=N\CC(C)C
InChIInChI=1S/C8H18N2/c1-7(2)6-10-8(3)4-5-9/h7H,4-6,9H2,1-3H3/b10-8+
InChIKeyQHMKBQDKIUVCRL-CSKARUKUSA-N
MW142.25 g/mol
LogP1.45
Rot. Bonds4

About 3-(2-methylpropylimino)butan-1-amine

3-(2-methylpropylimino)butan-1-amine (PubChem CID 57276315) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-(2-methylpropylimino)butan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropylimino)butan-1-amine
PubChem CID57276315
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-(2-methylpropylimino)butan-1-amine
SMILESC/C(CCN)=N\CC(C)C
InChIInChI=1S/C8H18N2/c1-7(2)6-10-8(3)4-5-9/h7H,4-6,9H2,1-3H3/b10-8+
InChIKeyQHMKBQDKIUVCRL-CSKARUKUSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.45
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-methylpropylimino)butan-1-amine?
The IUPAC name of 3-(2-methylpropylimino)butan-1-amine (CID 57276315) is 3-(2-methylpropylimino)butan-1-amine.
What is the SMILES notation for 3-(2-methylpropylimino)butan-1-amine?
The canonical SMILES for 3-(2-methylpropylimino)butan-1-amine is C/C(CCN)=N\CC(C)C.
What is the InChIKey of 3-(2-methylpropylimino)butan-1-amine?
The InChIKey is QHMKBQDKIUVCRL-CSKARUKUSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)6-10-8(3)4-5-9/h7H,4-6,9H2,1-3H3/b10-8+.
What are the key properties of 3-(2-methylpropylimino)butan-1-amine?
3-(2-methylpropylimino)butan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylimino)butan-1-amine is sourced from PubChem (CID 57276315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).