1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 115437615

IUPAC1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCOCc1cccc(CNC(=O)C2(CN)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-12-15-7-5-6-14(10-15)11-19-16(20)17(13-18)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-13,18H2,1H3,(H,19,20)
InChIKeyASOWMCAOHNSFKQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 115437615) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID115437615
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCOCc1cccc(CNC(=O)C2(CN)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-12-15-7-5-6-14(10-15)11-19-16(20)17(13-18)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-13,18H2,1H3,(H,19,20)
InChIKeyASOWMCAOHNSFKQ-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705750
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
3-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
CID 115448296
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 63122588
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
CID 136541376
N-[[4-(aminomethyl)phenyl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 50973902

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 115437615) is 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is COCc1cccc(CNC(=O)C2(CN)CCCCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ASOWMCAOHNSFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-12-15-7-5-6-14(10-15)11-19-16(20)17(13-18)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-13,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).