3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide

C15H22N2O2 — CID 115358989

IUPAC3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2(CO)CCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-14(19)13-5-3-4-12(8-13)9-17-10-15(11-18)6-1-2-7-15/h3-5,8,17-18H,1-2,6-7,9-11H2,(H2,16,19)
InChIKeyATNRSWIOOQNIGN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds6

About 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide

3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide (PubChem CID 115358989) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
PubChem CID115358989
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2(CO)CCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-14(19)13-5-3-4-12(8-13)9-17-10-15(11-18)6-1-2-7-15/h3-5,8,17-18H,1-2,6-7,9-11H2,(H2,16,19)
InChIKeyATNRSWIOOQNIGN-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
3-[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]methyl]benzoic acid
CID 122031882
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
CID 112701033
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358849
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide?
The IUPAC name of 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide (CID 115358989) is 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide is NC(=O)c1cccc(CNCC2(CO)CCCC2)c1.
What is the InChIKey of 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide?
The InChIKey is ATNRSWIOOQNIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(19)13-5-3-4-12(8-13)9-17-10-15(11-18)6-1-2-7-15/h3-5,8,17-18H,1-2,6-7,9-11H2,(H2,16,19).
What are the key properties of 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide?
3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide is sourced from PubChem (CID 115358989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).