3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride

C12H27Cl2N3O — CID 119866077

IUPAC3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(C)CCNC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(2)8-7-14-12(16)10-5-4-6-11(13)9-10;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyGMXBHJBSNNSTTD-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119866077) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119866077
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(C)CCNC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(2)8-7-14-12(16)10-5-4-6-11(13)9-10;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyGMXBHJBSNNSTTD-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 114127430
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
(3S)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-carboxamide
CID 81140340

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119866077) is 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride is CCN(C)CCNC(=O)C1CCCC(N)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is GMXBHJBSNNSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-3-15(2)8-7-14-12(16)10-5-4-6-11(13)9-10;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119866077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).