3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride

C17H37Cl2N3O — CID 119842264

IUPAC3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1CCCC(N)C1)CC(C)C.Cl.Cl
InChIInChI=1S/C17H35N3O.2ClH/c1-5-20(6-2)16(10-13(3)4)12-19-17(21)14-8-7-9-15(18)11-14;;/h13-16H,5-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyLPJTUOSWVHBMRR-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.22
Rot. Bonds8

About 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119842264) has the molecular formula C17H37Cl2N3O and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119842264
Molecular FormulaC17H37Cl2N3O
Molecular Weight370.41 g/mol
Exact Mass369.23
IUPAC Name3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1CCCC(N)C1)CC(C)C.Cl.Cl
InChIInChI=1S/C17H35N3O.2ClH/c1-5-20(6-2)16(10-13(3)4)12-19-17(21)14-8-7-9-15(18)11-14;;/h13-16H,5-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyLPJTUOSWVHBMRR-UHFFFAOYSA-N
XLogP3.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
CID 119784027
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-4-methylpentyl]oxolane-2-carboxamide;dihydrochloride
CID 120797665
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 63043214
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119812295
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopentane-1-carboxamide
CID 119817751

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119842264) is 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)C1CCCC(N)C1)CC(C)C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is LPJTUOSWVHBMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O.2ClH/c1-5-20(6-2)16(10-13(3)4)12-19-17(21)14-8-7-9-15(18)11-14;;/h13-16H,5-12,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 370.41 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119842264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).