4-(1-aminopropan-2-yl)-N,N-dimethylaniline

C11H18N2 — CID 60965190

IUPAC4-(1-aminopropan-2-yl)-N,N-dimethylaniline
SMILESCC(CN)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2/c1-9(8-12)10-4-6-11(7-5-10)13(2)3/h4-7,9H,8,12H2,1-3H3
InChIKeyPALPJAUFQVUYJI-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.81
Rot. Bonds3

About 4-(1-aminopropan-2-yl)-N,N-dimethylaniline

4-(1-aminopropan-2-yl)-N,N-dimethylaniline (PubChem CID 60965190) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-N,N-dimethylaniline
PubChem CID60965190
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(1-aminopropan-2-yl)-N,N-dimethylaniline
SMILESCC(CN)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2/c1-9(8-12)10-4-6-11(7-5-10)13(2)3/h4-7,9H,8,12H2,1-3H3
InChIKeyPALPJAUFQVUYJI-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
1-[4-(dimethylamino)phenyl]-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569818
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
5-(1-aminopropan-2-yl)-N,N-dimethylpyridin-2-amine
CID 82654185
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminopropan-2-yl)-N,N-dimethylaniline (CID 60965190) is 4-(1-aminopropan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminopropan-2-yl)-N,N-dimethylaniline is CC(CN)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-N,N-dimethylaniline?
The InChIKey is PALPJAUFQVUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(8-12)10-4-6-11(7-5-10)13(2)3/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 4-(1-aminopropan-2-yl)-N,N-dimethylaniline?
4-(1-aminopropan-2-yl)-N,N-dimethylaniline has a molecular weight of 178.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 60965190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).