N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide

C17H27N3O — CID 65283923

IUPACN-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2)8-3-10-20(11-9-17)13-16(21)19-15-6-4-14(12-18)5-7-15/h4-7H,3,8-13,18H2,1-2H3,(H,19,21)
InChIKeyYVYKDONMXHDQSL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.60
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide

N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide (PubChem CID 65283923) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
PubChem CID65283923
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2)8-3-10-20(11-9-17)13-16(21)19-15-6-4-14(12-18)5-7-15/h4-7H,3,8-13,18H2,1-2H3,(H,19,21)
InChIKeyYVYKDONMXHDQSL-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283533
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103494265
N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246107
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide (CID 65283923) is N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide is CC1(C)CCCN(CC(=O)Nc2ccc(CN)cc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
The InChIKey is YVYKDONMXHDQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2)8-3-10-20(11-9-17)13-16(21)19-15-6-4-14(12-18)5-7-15/h4-7H,3,8-13,18H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide is sourced from PubChem (CID 65283923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).