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

C17H27N3O — CID 65283533

IUPACN-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)Nc2ccccc2CN)CC1
InChIInChI=1S/C17H27N3O/c1-17(2)8-5-10-20(11-9-17)13-16(21)19-15-7-4-3-6-14(15)12-18/h3-4,6-7H,5,8-13,18H2,1-2H3,(H,19,21)
InChIKeyDIBLMLWYHZRIEK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.60
Rot. Bonds4

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

N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide (PubChem CID 65283533) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
PubChem CID65283533
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)Nc2ccccc2CN)CC1
InChIInChI=1S/C17H27N3O/c1-17(2)8-5-10-20(11-9-17)13-16(21)19-15-7-4-3-6-14(15)12-18/h3-4,6-7H,5,8-13,18H2,1-2H3,(H,19,21)
InChIKeyDIBLMLWYHZRIEK-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-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283923
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide
CID 64571252
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
CID 62837195
N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62986882

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide (CID 65283533) is N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide is CC1(C)CCCN(CC(=O)Nc2ccccc2CN)CC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
The InChIKey is DIBLMLWYHZRIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2)8-5-10-20(11-9-17)13-16(21)19-15-7-4-3-6-14(15)12-18/h3-4,6-7H,5,8-13,18H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide?
N-[2-(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-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide is sourced from PubChem (CID 65283533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).