2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide

C17H29N3O — CID 107471403

IUPAC2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
SMILESCN(C)Cc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-17(2,3)10-14(11-18)16(21)19-15-8-6-13(7-9-15)12-20(4)5/h6-9,14H,10-12,18H2,1-5H3,(H,19,21)
InChIKeyKRRBQZUJBKVSPQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.70
Rot. Bonds6

About 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide (PubChem CID 107471403) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
PubChem CID107471403
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
SMILESCN(C)Cc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-17(2,3)10-14(11-18)16(21)19-15-8-6-13(7-9-15)12-20(4)5/h6-9,14H,10-12,18H2,1-5H3,(H,19,21)
InChIKeyKRRBQZUJBKVSPQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 61265996
2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
CID 107472557
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
CID 107471479
2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
CID 43700671
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide (CID 107471403) is 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide is CN(C)Cc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide?
The InChIKey is KRRBQZUJBKVSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)10-14(11-18)16(21)19-15-8-6-13(7-9-15)12-20(4)5/h6-9,14H,10-12,18H2,1-5H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide has a molecular weight of 291.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107471403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).