3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride

C16H31ClN2O2 — CID 119819562

IUPAC3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-11(2)15-13(6-4-8-20-15)10-18-16(19)12-5-3-7-14(17)9-12;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H
InChIKeyXGTRMMQNOQCDKH-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.49
Rot. Bonds4

About 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119819562) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119819562
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-11(2)15-13(6-4-8-20-15)10-18-16(19)12-5-3-7-14(17)9-12;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H
InChIKeyXGTRMMQNOQCDKH-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119819562) is 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)C1OCCCC1CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XGTRMMQNOQCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-11(2)15-13(6-4-8-20-15)10-18-16(19)12-5-3-7-14(17)9-12;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119819562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).