N,2-dimethylpropan-1-amine

C5H13N — CID 12249

IUPACN,2-dimethylpropan-1-amine
SMILESCNCC(C)C
InChIInChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3
InChIKeyQKYWADPCTHTJHQ-UHFFFAOYSA-N
MW87.17 g/mol
LogP0.86
Rot. Bonds2

About N,2-dimethylpropan-1-amine

N,2-dimethylpropan-1-amine (PubChem CID 12249) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethylpropan-1-amine
PubChem CID12249
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC NameN,2-dimethylpropan-1-amine
SMILESCNCC(C)C
InChIInChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3
InChIKeyQKYWADPCTHTJHQ-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2-dimethylpropan-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

Related Compounds

Dipropylamine
CID 8902
N-Methylbutylamine
CID 8068
Diisobutylamine
CID 8085
N-Methylpropylamine
CID 12315
(2-Methylpropyl)(propyl)amine
CID 520943
1-Propanamine, N-ethyl-
CID 88398
Diisobutylamine Hydrochloride
CID 519535
N,3-Dimethyl-1-butanamine
CID 521020
Cyclopropanemethanamine, N-propyl-
CID 117787
N1,N3,2-trimethyl-1,3-Propanediamine
CID 296299
(2,2-Dimethylpropyl)(methyl)amine
CID 12910381
2-[(2-Methylpropyl)amino]acetonitrile
CID 13362585

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-amine?
The IUPAC name of N,2-dimethylpropan-1-amine (CID 12249) is N,2-dimethylpropan-1-amine.
What is the SMILES notation for N,2-dimethylpropan-1-amine?
The canonical SMILES for N,2-dimethylpropan-1-amine is CNCC(C)C.
What is the InChIKey of N,2-dimethylpropan-1-amine?
The InChIKey is QKYWADPCTHTJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3.
What are the key properties of N,2-dimethylpropan-1-amine?
N,2-dimethylpropan-1-amine has a molecular weight of 87.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-1-amine is sourced from PubChem (CID 12249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).