1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide

C13H24N2O3 — CID 64552943

IUPAC1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2COCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-10-3-2-4-13(14,7-10)12(16)15-8-11-9-17-5-6-18-11/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyOPTZJNJKZFSDDJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.43
Rot. Bonds3

About 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64552943) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64552943
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2COCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-10-3-2-4-13(14,7-10)12(16)15-8-11-9-17-5-6-18-11/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyOPTZJNJKZFSDDJ-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
1-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081951
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 81130808
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552555
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide (CID 64552943) is 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCC2COCCO2)C1.
What is the InChIKey of 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is OPTZJNJKZFSDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-3-2-4-13(14,7-10)12(16)15-8-11-9-17-5-6-18-11/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64552943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).