2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide

C17H27N3O — CID 43248801

IUPAC2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)Cc1cccc(CN)c1
InChIInChI=1S/C17H27N3O/c1-20(12-15-7-5-6-14(10-15)11-18)13-17(21)19-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-13,18H2,1H3,(H,19,21)
InChIKeyXZNBDWWEONYFHM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.03
Rot. Bonds6

About 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide

2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide (PubChem CID 43248801) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
PubChem CID43248801
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)Cc1cccc(CN)c1
InChIInChI=1S/C17H27N3O/c1-20(12-15-7-5-6-14(10-15)11-18)13-17(21)19-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-13,18H2,1H3,(H,19,21)
InChIKeyXZNBDWWEONYFHM-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide
CID 62464125
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide (CID 43248801) is 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide is CN(CC(=O)NC1CCCCC1)Cc1cccc(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide?
The InChIKey is XZNBDWWEONYFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(12-15-7-5-6-14(10-15)11-18)13-17(21)19-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-13,18H2,1H3,(H,19,21).
What are the key properties of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide?
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 43248801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).