N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

C18H29ClN2O — CID 119996800

IUPACN-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccccc1C1(C(=O)NCC(C)CN)CCCCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(12-19)13-20-17(21)18(10-6-3-7-11-18)16-9-5-4-8-15(16)2;/h4-5,8-9,14H,3,6-7,10-13,19H2,1-2H3,(H,20,21);1H
InChIKeyBOGQEPNEGDDYSO-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.33
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119996800) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119996800
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccccc1C1(C(=O)NCC(C)CN)CCCCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(12-19)13-20-17(21)18(10-6-3-7-11-18)16-9-5-4-8-15(16)2;/h4-5,8-9,14H,3,6-7,10-13,19H2,1-2H3,(H,20,21);1H
InChIKeyBOGQEPNEGDDYSO-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide
CID 119613947
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
CID 65007655
N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 119995100
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 126813186
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119517732

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119996800) is N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is Cc1ccccc1C1(C(=O)NCC(C)CN)CCCCC1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BOGQEPNEGDDYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14(12-19)13-20-17(21)18(10-6-3-7-11-18)16-9-5-4-8-15(16)2;/h4-5,8-9,14H,3,6-7,10-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119996800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).