2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide

C13H24N2O3 — CID 62783221

IUPAC2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)C1C(=O)NCC1COCCO1
InChIInChI=1S/C13H24N2O3/c1-9-3-2-4-11(14)12(9)13(16)15-7-10-8-17-5-6-18-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyXRGDMNQQGRYFCZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide

2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide (PubChem CID 62783221) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide
PubChem CID62783221
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)C1C(=O)NCC1COCCO1
InChIInChI=1S/C13H24N2O3/c1-9-3-2-4-11(14)12(9)13(16)15-7-10-8-17-5-6-18-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyXRGDMNQQGRYFCZ-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-6-methylcyclohexane-1-carboxamide
CID 62778088
2-amino-6-methyl-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 62781177
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-6-methylcyclohexane-1-carboxamide
CID 55116655
N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide
CID 114241768
2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide
CID 106280298
1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552943
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
CID 61023976
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
CID 62781980
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274
2-amino-6-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 62783318
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
CID 64676747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide (CID 62783221) is 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide is CC1CCCC(N)C1C(=O)NCC1COCCO1.
What is the InChIKey of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide?
The InChIKey is XRGDMNQQGRYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-3-2-4-11(14)12(9)13(16)15-7-10-8-17-5-6-18-10/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide?
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62783221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).