2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide

C14H28N2O2 — CID 65453971

IUPAC2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CC(C)CCC1N)C(C)COC
InChIInChI=1S/C14H28N2O2/c1-5-16(11(3)9-18-4)14(17)12-8-10(2)6-7-13(12)15/h10-13H,5-9,15H2,1-4H3
InChIKeyVORDNNBAVJSXPY-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide

2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide (PubChem CID 65453971) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide
PubChem CID65453971
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CC(C)CCC1N)C(C)COC
InChIInChI=1S/C14H28N2O2/c1-5-16(11(3)9-18-4)14(17)12-8-10(2)6-7-13(12)15/h10-13H,5-9,15H2,1-4H3
InChIKeyVORDNNBAVJSXPY-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide (CID 65453971) is 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide is CCN(C(=O)C1CC(C)CCC1N)C(C)COC.
What is the InChIKey of 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide?
The InChIKey is VORDNNBAVJSXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-16(11(3)9-18-4)14(17)12-8-10(2)6-7-13(12)15/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide?
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 65453971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).