5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride

C16H27ClN2O — CID 66743271

IUPAC5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
SMILESCN(C)C(=O)CCCCc1cccc(CCCN)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-18(2)16(19)11-4-3-7-14-8-5-9-15(13-14)10-6-12-17;/h5,8-9,13H,3-4,6-7,10-12,17H2,1-2H3;1H
InChIKeyYBBQRVQVQDAPQZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.80
Rot. Bonds8

About 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride

5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride (PubChem CID 66743271) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
PubChem CID66743271
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
SMILESCN(C)C(=O)CCCCc1cccc(CCCN)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-18(2)16(19)11-4-3-7-14-8-5-9-15(13-14)10-6-12-17;/h5,8-9,13H,3-4,6-7,10-12,17H2,1-2H3;1H
InChIKeyYBBQRVQVQDAPQZ-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.80
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-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
CID 54058207
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide
CID 87583063
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
N,N-dimethyl-5-(3-propylphenoxy)pentanamide
CID 173258398
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
4-[3-(3-aminopropyl)phenyl]butan-2-ol
CID 71016170
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 5-[3-(chloromethyl)phenyl]pentanoate
CID 129315336

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride?
The IUPAC name of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride (CID 66743271) is 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride?
The canonical SMILES for 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride is CN(C)C(=O)CCCCc1cccc(CCCN)c1.Cl.
What is the InChIKey of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride?
The InChIKey is YBBQRVQVQDAPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-18(2)16(19)11-4-3-7-14-8-5-9-15(13-14)10-6-12-17;/h5,8-9,13H,3-4,6-7,10-12,17H2,1-2H3;1H.
What are the key properties of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride?
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 66743271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).