4-(2-aminopropyl)-N,3-dimethylaniline

C11H18N2 — CID 10035180

IUPAC4-(2-aminopropyl)-N,3-dimethylaniline
SMILESCNc1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C11H18N2/c1-8-6-11(13-3)5-4-10(8)7-9(2)12/h4-6,9,13H,7,12H2,1-3H3
InChIKeyADMXVTGQLULJGR-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.93
Rot. Bonds3

About 4-(2-aminopropyl)-N,3-dimethylaniline

4-(2-aminopropyl)-N,3-dimethylaniline (PubChem CID 10035180) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,3-dimethylaniline
PubChem CID10035180
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(2-aminopropyl)-N,3-dimethylaniline
SMILESCNc1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C11H18N2/c1-8-6-11(13-3)5-4-10(8)7-9(2)12/h4-6,9,13H,7,12H2,1-3H3
InChIKeyADMXVTGQLULJGR-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
CID 91048329
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 55236601
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]propan-2-amine
CID 55238926
N,3-dimethyl-4-penta-2,4-dienylaniline
CID 123329785
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 63786963
4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
CID 63794504
1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 55259629
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N,3-dimethylaniline (CID 10035180) is 4-(2-aminopropyl)-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N,3-dimethylaniline is CNc1ccc(CC(C)N)c(C)c1.
What is the InChIKey of 4-(2-aminopropyl)-N,3-dimethylaniline?
The InChIKey is ADMXVTGQLULJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-6-11(13-3)5-4-10(8)7-9(2)12/h4-6,9,13H,7,12H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N,3-dimethylaniline?
4-(2-aminopropyl)-N,3-dimethylaniline has a molecular weight of 178.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,3-dimethylaniline is sourced from PubChem (CID 10035180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).