4-(2-aminopropyl)-N,N,2-trimethylaniline

C12H20N2 — CID 3043622

IUPAC4-(2-aminopropyl)-N,N,2-trimethylaniline
SMILESCc1cc(CC(C)N)ccc1N(C)C
InChIInChI=1S/C12H20N2/c1-9-7-11(8-10(2)13)5-6-12(9)14(3)4/h5-7,10H,8,13H2,1-4H3
InChIKeyQZGBRNXNKHSDJA-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.95
Rot. Bonds3

About 4-(2-aminopropyl)-N,N,2-trimethylaniline

4-(2-aminopropyl)-N,N,2-trimethylaniline (PubChem CID 3043622) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,N,2-trimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,N,2-trimethylaniline
PubChem CID3043622
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(2-aminopropyl)-N,N,2-trimethylaniline
SMILESCc1cc(CC(C)N)ccc1N(C)C
InChIInChI=1S/C12H20N2/c1-9-7-11(8-10(2)13)5-6-12(9)14(3)4/h5-7,10H,8,13H2,1-4H3
InChIKeyQZGBRNXNKHSDJA-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminopropyl)-N,N,2-trimethylaniline 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

4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
CID 63786459
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
CID 63795379
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
CID 115890541
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,N,2-trimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N,N,2-trimethylaniline (CID 3043622) is 4-(2-aminopropyl)-N,N,2-trimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N,N,2-trimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N,N,2-trimethylaniline is Cc1cc(CC(C)N)ccc1N(C)C.
What is the InChIKey of 4-(2-aminopropyl)-N,N,2-trimethylaniline?
The InChIKey is QZGBRNXNKHSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-7-11(8-10(2)13)5-6-12(9)14(3)4/h5-7,10H,8,13H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N,N,2-trimethylaniline?
4-(2-aminopropyl)-N,N,2-trimethylaniline has a molecular weight of 192.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,N,2-trimethylaniline is sourced from PubChem (CID 3043622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).