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

C15H25N3O — CID 43704239

IUPAC2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H25N3O/c1-11(2)8-14(16)15(19)17-13-7-5-6-12(9-13)10-18(3)4/h5-7,9,11,14H,8,10,16H2,1-4H3,(H,17,19)
InChIKeySOMBOCHTDUGZHR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds6

About 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide

2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide (PubChem CID 43704239) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
PubChem CID43704239
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H25N3O/c1-11(2)8-14(16)15(19)17-13-7-5-6-12(9-13)10-18(3)4/h5-7,9,11,14H,8,10,16H2,1-4H3,(H,17,19)
InChIKeySOMBOCHTDUGZHR-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
(2S)-2-amino-4-methyl-N-[3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119756858
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
(2S)-2-amino-N-[3-[[(2-chlorophenyl)carbamoylamino]methyl]phenyl]-4-methylpentanamide
CID 119805291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide (CID 43704239) is 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
The InChIKey is SOMBOCHTDUGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)8-14(16)15(19)17-13-7-5-6-12(9-13)10-18(3)4/h5-7,9,11,14H,8,10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide?
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 43704239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).