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

C17H29N3O — CID 82851014

IUPAC5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
SMILESCCN(CC)Cc1cccc(NC(=O)CCCC(C)N)c1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)13-15-9-7-10-16(12-15)19-17(21)11-6-8-14(3)18/h7,9-10,12,14H,4-6,8,11,13,18H2,1-3H3,(H,19,21)
InChIKeyQWXSRWFXGUZIAG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.98
Rot. Bonds9

About 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide

5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide (PubChem CID 82851014) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
PubChem CID82851014
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
SMILESCCN(CC)Cc1cccc(NC(=O)CCCC(C)N)c1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)13-15-9-7-10-16(12-15)19-17(21)11-6-8-14(3)18/h7,9-10,12,14H,4-6,8,11,13,18H2,1-3H3,(H,19,21)
InChIKeyQWXSRWFXGUZIAG-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 43711987
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
CID 82852468
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide (CID 82851014) is 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide is CCN(CC)Cc1cccc(NC(=O)CCCC(C)N)c1.
What is the InChIKey of 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
The InChIKey is QWXSRWFXGUZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)13-15-9-7-10-16(12-15)19-17(21)11-6-8-14(3)18/h7,9-10,12,14H,4-6,8,11,13,18H2,1-3H3,(H,19,21).
What are the key properties of 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide?
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide has a molecular weight of 291.44 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide is sourced from PubChem (CID 82851014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).