6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide

C17H29N3O — CID 43711987

IUPAC6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
SMILESCCN(CC)Cc1cccc(NC(=O)CCCCCN)c1
InChIInChI=1S/C17H29N3O/c1-3-20(4-2)14-15-9-8-10-16(13-15)19-17(21)11-6-5-7-12-18/h8-10,13H,3-7,11-12,14,18H2,1-2H3,(H,19,21)
InChIKeyAEHXIYNBMHZEIN-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.99
Rot. Bonds10

About 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide

6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide (PubChem CID 43711987) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
PubChem CID43711987
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
SMILESCCN(CC)Cc1cccc(NC(=O)CCCCCN)c1
InChIInChI=1S/C17H29N3O/c1-3-20(4-2)14-15-9-8-10-16(13-15)19-17(21)11-6-5-7-12-18/h8-10,13H,3-7,11-12,14,18H2,1-2H3,(H,19,21)
InChIKeyAEHXIYNBMHZEIN-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 82851014
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-(3-ethylphenyl)decanamide
CID 4053743
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide (CID 43711987) is 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide is CCN(CC)Cc1cccc(NC(=O)CCCCCN)c1.
What is the InChIKey of 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
The InChIKey is AEHXIYNBMHZEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20(4-2)14-15-9-8-10-16(13-15)19-17(21)11-6-5-7-12-18/h8-10,13H,3-7,11-12,14,18H2,1-2H3,(H,19,21).
What are the key properties of 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide has a molecular weight of 291.44 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide is sourced from PubChem (CID 43711987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).