2,2-dimethyl-N-propylpropan-1-amine

C8H19N — CID 551573

IUPAC2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)C
InChIInChI=1S/C8H19N/c1-5-6-9-7-8(2,3)4/h9H,5-7H2,1-4H3
InChIKeyKRXFSOSAGFDHBQ-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds3

About 2,2-dimethyl-N-propylpropan-1-amine

2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 551573) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propylpropan-1-amine
PubChem CID551573
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)C
InChIInChI=1S/C8H19N/c1-5-6-9-7-8(2,3)4/h9H,5-7H2,1-4H3
InChIKeyKRXFSOSAGFDHBQ-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-propylpropan-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

2,2,4,4-tetramethyl-N-propylpentan-1-amine
CID 177180730
2-methyl-1-(propylamino)propane-2-thiol
CID 118074642
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461
2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630
2-N-methyl-1-N,2-N'-dipropylpropane-1,2,2-triamine
CID 149112157
(Z)-N-(2,2-dimethylpropyl)hex-3-en-1-amine
CID 89382134
3,3-dimethyl-4-(propylamino)butanenitrile
CID 139517943
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propylpropan-1-amine (CID 551573) is 2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propylpropan-1-amine is CCCNCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is KRXFSOSAGFDHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-5-6-9-7-8(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propylpropan-1-amine?
2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 551573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).