cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride

C15H29ClN2O2 — CID 154909398

IUPACcis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)[C@@H]2CCC[C@H](N)C2)CCCC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-19-11-15(7-2-3-8-15)10-17-14(18)12-5-4-6-13(16)9-12;/h12-13H,2-11,16H2,1H3,(H,17,18);1H/t12-,13+;/m1./s1
InChIKeySNUYMKMWORXUMO-KZCZEQIWSA-N
MW304.86 g/mol
LogP2.25
Rot. Bonds5

About cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride

cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 154909398) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID154909398
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Namecis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)[C@@H]2CCC[C@H](N)C2)CCCC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-19-11-15(7-2-3-8-15)10-17-14(18)12-5-4-6-13(16)9-12;/h12-13H,2-11,16H2,1H3,(H,17,18);1H/t12-,13+;/m1./s1
InChIKeySNUYMKMWORXUMO-KZCZEQIWSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119812295
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782141
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 103810881
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694990
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 125443450
N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
CID 63047139
N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 122566407
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 154909398) is cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride is COCC1(CNC(=O)[C@@H]2CCC[C@H](N)C2)CCCC1.Cl.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SNUYMKMWORXUMO-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-19-11-15(7-2-3-8-15)10-17-14(18)12-5-4-6-13(16)9-12;/h12-13H,2-11,16H2,1H3,(H,17,18);1H/t12-,13+;/m1./s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 154909398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).