3-(4-aminobutyl)-N,N-dimethylaniline

C12H20N2 — CID 117283311

IUPAC3-(4-aminobutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(CCCCN)c1
InChIInChI=1S/C12H20N2/c1-14(2)12-8-5-7-11(10-12)6-3-4-9-13/h5,7-8,10H,3-4,6,9,13H2,1-2H3
InChIKeyOBHBCKQFRKCTGP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.03
Rot. Bonds5

About 3-(4-aminobutyl)-N,N-dimethylaniline

3-(4-aminobutyl)-N,N-dimethylaniline (PubChem CID 117283311) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(4-aminobutyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-aminobutyl)-N,N-dimethylaniline
PubChem CID117283311
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(4-aminobutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(CCCCN)c1
InChIInChI=1S/C12H20N2/c1-14(2)12-8-5-7-11(10-12)6-3-4-9-13/h5,7-8,10H,3-4,6,9,13H2,1-2H3
InChIKeyOBHBCKQFRKCTGP-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminobutyl)-N,N-diethylaniline
CID 117314931
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
[3-(dimethylamino)phenyl]methanethiol
CID 83792343
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
4-(3-phenylphenyl)butan-1-amine
CID 117324209
3-(2-ethoxyethyl)-N,N-dimethylaniline
CID 142585590
5-(4-aminobutyl)-2-bromo-N,N-dimethylaniline
CID 117115684
3-(3-methylphenyl)propan-1-amine
CID 12666388
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
N,N-dimethylaniline;phenylmethanamine
CID 159620878

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-N,N-dimethylaniline?
The IUPAC name of 3-(4-aminobutyl)-N,N-dimethylaniline (CID 117283311) is 3-(4-aminobutyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-aminobutyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(4-aminobutyl)-N,N-dimethylaniline is CN(C)c1cccc(CCCCN)c1.
What is the InChIKey of 3-(4-aminobutyl)-N,N-dimethylaniline?
The InChIKey is OBHBCKQFRKCTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-14(2)12-8-5-7-11(10-12)6-3-4-9-13/h5,7-8,10H,3-4,6,9,13H2,1-2H3.
What are the key properties of 3-(4-aminobutyl)-N,N-dimethylaniline?
3-(4-aminobutyl)-N,N-dimethylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-N,N-dimethylaniline is sourced from PubChem (CID 117283311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).