2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide

C16H27N3O — CID 65229042

IUPAC2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)15(9-17)16(20)18-10-13-7-5-6-8-14(13)11-19(3)4/h5-8,12,15H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyWAMCITRYAJLHMX-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.60
Rot. Bonds7

About 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide

2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide (PubChem CID 65229042) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
PubChem CID65229042
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)15(9-17)16(20)18-10-13-7-5-6-8-14(13)11-19(3)4/h5-8,12,15H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyWAMCITRYAJLHMX-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
2-(aminomethyl)-3-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 65227998
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 65229472
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
CID 60607222
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide (CID 65229042) is 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide is CC(C)C(CN)C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide?
The InChIKey is WAMCITRYAJLHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)15(9-17)16(20)18-10-13-7-5-6-8-14(13)11-19(3)4/h5-8,12,15H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide?
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 65229042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).