3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C15H29ClN2O2 — CID 119798090

IUPAC3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCN(CCC1CCOCC1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-17(8-5-12-6-9-19-10-7-12)15(18)13-3-2-4-14(16)11-13;/h12-14H,2-11,16H2,1H3;1H
InChIKeyDVOOYPPTWNHFPY-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119798090) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119798090
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCN(CCC1CCOCC1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-17(8-5-12-6-9-19-10-7-12)15(18)13-3-2-4-14(16)11-13;/h12-14H,2-11,16H2,1H3;1H
InChIKeyDVOOYPPTWNHFPY-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119798090) is 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is CN(CCC1CCOCC1)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DVOOYPPTWNHFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-17(8-5-12-6-9-19-10-7-12)15(18)13-3-2-4-14(16)11-13;/h12-14H,2-11,16H2,1H3;1H.
What are the key properties of 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119798090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).