3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride

C15H31Cl2N3O2 — CID 119868891

IUPAC3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC1(C)CN(CCNC(=O)C2CCCC(N)C2)CCO1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-15(2)11-18(8-9-20-15)7-6-17-14(19)12-4-3-5-13(16)10-12;;/h12-13H,3-11,16H2,1-2H3,(H,17,19);2*1H
InChIKeyIYVXCQVAPCFSCE-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119868891) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119868891
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC1(C)CN(CCNC(=O)C2CCCC(N)C2)CCO1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-15(2)11-18(8-9-20-15)7-6-17-14(19)12-4-3-5-13(16)10-12;;/h12-13H,3-11,16H2,1-2H3,(H,17,19);2*1H
InChIKeyIYVXCQVAPCFSCE-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
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3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
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3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
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CID 119900981
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
(2S)-2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-methylpentanamide
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3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
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3-amino-N-butylcyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119868891) is 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride is CC1(C)CN(CCNC(=O)C2CCCC(N)C2)CCO1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is IYVXCQVAPCFSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-15(2)11-18(8-9-20-15)7-6-17-14(19)12-4-3-5-13(16)10-12;;/h12-13H,3-11,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119868891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).