5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide

C15H25N3O — CID 82011163

IUPAC5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H25N3O/c1-12(10-16)7-8-15(19)17-14-6-4-5-13(9-14)11-18(2)3/h4-6,9,12H,7-8,10-11,16H2,1-3H3,(H,17,19)
InChIKeyJQQNLQQZEQZZKC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds7

About 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide

5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide (PubChem CID 82011163) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
PubChem CID82011163
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H25N3O/c1-12(10-16)7-8-15(19)17-14-6-4-5-13(9-14)11-18(2)3/h4-6,9,12H,7-8,10-11,16H2,1-3H3,(H,17,19)
InChIKeyJQQNLQQZEQZZKC-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
methyl 3-[(5-amino-4-methylpentanoyl)amino]benzoate
CID 82012045
2-[3-[(6-amino-4-methylhexanoyl)amino]phenyl]acetic acid
CID 65350517
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 86979126
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide (CID 82011163) is 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide is CC(CN)CCC(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
The InChIKey is JQQNLQQZEQZZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(10-16)7-8-15(19)17-14-6-4-5-13(9-14)11-18(2)3/h4-6,9,12H,7-8,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 82011163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).