5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide

C16H30N2O2 — CID 61005628

IUPAC5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NCC2CCCO2)(C(N)=O)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)14-7-6-12(3)9-16(14,15(17)19)18-10-13-5-4-8-20-13/h11-14,18H,4-10H2,1-3H3,(H2,17,19)
InChIKeyUVGAHKFUWBGLPS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.07
Rot. Bonds5

About 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide

5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 61005628) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID61005628
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NCC2CCCO2)(C(N)=O)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)14-7-6-12(3)9-16(14,15(17)19)18-10-13-5-4-8-20-13/h11-14,18H,4-10H2,1-3H3,(H2,17,19)
InChIKeyUVGAHKFUWBGLPS-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54887564
2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64756379
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
methyl 1-(oxolan-2-ylmethylamino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 62708451
1-carbamothioyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80591611
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide
CID 83269183
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide (CID 61005628) is 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(NCC2CCCO2)(C(N)=O)C1.
What is the InChIKey of 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is UVGAHKFUWBGLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)14-7-6-12(3)9-16(14,15(17)19)18-10-13-5-4-8-20-13/h11-14,18H,4-10H2,1-3H3,(H2,17,19).
What are the key properties of 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 61005628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).