2-methyl-N,N-bis(methylamino)butan-1-amine

C7H19N3 — CID 139482995

IUPAC2-methyl-N,N-bis(methylamino)butan-1-amine
SMILESCCC(C)CN(NC)NC
InChIInChI=1S/C7H19N3/c1-5-7(2)6-10(8-3)9-4/h7-9H,5-6H2,1-4H3
InChIKeyAMHNSQLRLOHXID-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.60
Rot. Bonds5

About 2-methyl-N,N-bis(methylamino)butan-1-amine

2-methyl-N,N-bis(methylamino)butan-1-amine (PubChem CID 139482995) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-methyl-N,N-bis(methylamino)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N,N-bis(methylamino)butan-1-amine
PubChem CID139482995
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name2-methyl-N,N-bis(methylamino)butan-1-amine
SMILESCCC(C)CN(NC)NC
InChIInChI=1S/C7H19N3/c1-5-7(2)6-10(8-3)9-4/h7-9H,5-6H2,1-4H3
InChIKeyAMHNSQLRLOHXID-UHFFFAOYSA-N
XLogP0.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N,N-bis(methylamino)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(methylamino)butan-1-amine?
The IUPAC name of 2-methyl-N,N-bis(methylamino)butan-1-amine (CID 139482995) is 2-methyl-N,N-bis(methylamino)butan-1-amine.
What is the SMILES notation for 2-methyl-N,N-bis(methylamino)butan-1-amine?
The canonical SMILES for 2-methyl-N,N-bis(methylamino)butan-1-amine is CCC(C)CN(NC)NC.
What is the InChIKey of 2-methyl-N,N-bis(methylamino)butan-1-amine?
The InChIKey is AMHNSQLRLOHXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-5-7(2)6-10(8-3)9-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N,N-bis(methylamino)butan-1-amine?
2-methyl-N,N-bis(methylamino)butan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(methylamino)butan-1-amine is sourced from PubChem (CID 139482995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).