4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide

C18H30N2O — CID 54058207

IUPAC4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1ccc(CCCCCCN)cc1
InChIInChI=1S/C18H30N2O/c1-20(2)18(21)10-7-9-17-13-11-16(12-14-17)8-5-3-4-6-15-19/h11-14H,3-10,15,19H2,1-2H3
InChIKeyLXTXZQMZNXJGBI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.16
Rot. Bonds10

About 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide

4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide (PubChem CID 54058207) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
PubChem CID54058207
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1ccc(CCCCCCN)cc1
InChIInChI=1S/C18H30N2O/c1-20(2)18(21)10-7-9-17-13-11-16(12-14-17)8-5-3-4-6-15-19/h11-14H,3-10,15,19H2,1-2H3
InChIKeyLXTXZQMZNXJGBI-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.16
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

4-(4-bromophenyl)-N,N-dimethylbutanamide
CID 158418152
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
CID 66743271
2-[4-(4-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 22054431
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930
6-(4-propylphenyl)hexan-1-amine
CID 65300510
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid
CID 70523631
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690
N-methyl-4-(4-phenylphenyl)butanehydrazide
CID 116845103

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide (CID 54058207) is 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCc1ccc(CCCCCCN)cc1.
What is the InChIKey of 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide?
The InChIKey is LXTXZQMZNXJGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-20(2)18(21)10-7-9-17-13-11-16(12-14-17)8-5-3-4-6-15-19/h11-14H,3-10,15,19H2,1-2H3.
What are the key properties of 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide?
4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide is sourced from PubChem (CID 54058207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).