N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride

C15H31ClN2O — CID 119629586

IUPACN-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCCC1CCC(C(=O)NCC(C)(C)N)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-5-6-12-7-9-13(10-8-12)14(18)17-11-15(2,3)16;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyGPYQHVYSKUDNLR-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.26
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119629586) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119629586
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCCC1CCC(C(=O)NCC(C)(C)N)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-5-6-12-7-9-13(10-8-12)14(18)17-11-15(2,3)16;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyGPYQHVYSKUDNLR-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride (CID 119629586) is N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride is CCCCC1CCC(C(=O)NCC(C)(C)N)CC1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GPYQHVYSKUDNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-4-5-6-12-7-9-13(10-8-12)14(18)17-11-15(2,3)16;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119629586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).