N-methyl-4-propan-2-ylcyclohexan-1-amine oxide

C10H21NO — CID 163948904

IUPACN-methyl-4-propan-2-ylcyclohexan-1-amine oxide
SMILESCC(C)C1CCC([NH+](C)[O-])CC1
InChIInChI=1S/C10H21NO/c1-8(2)9-4-6-10(7-5-9)11(3)12/h8-11H,4-7H2,1-3H3
InChIKeyRXOLSCHWOVGDKM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.21
Rot. Bonds2

About N-methyl-4-propan-2-ylcyclohexan-1-amine oxide

N-methyl-4-propan-2-ylcyclohexan-1-amine oxide (PubChem CID 163948904) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-4-propan-2-ylcyclohexan-1-amine oxide.

Molecular Properties

Compound NameN-methyl-4-propan-2-ylcyclohexan-1-amine oxide
PubChem CID163948904
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-4-propan-2-ylcyclohexan-1-amine oxide
SMILESCC(C)C1CCC([NH+](C)[O-])CC1
InChIInChI=1S/C10H21NO/c1-8(2)9-4-6-10(7-5-9)11(3)12/h8-11H,4-7H2,1-3H3
InChIKeyRXOLSCHWOVGDKM-UHFFFAOYSA-N
XLogP1.21
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-ylcyclopropane;hydroiodide
CID 162314014
N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide
CID 163689503
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
4-propan-2-ylcyclohexan-1-ol
CID 159817143
CID 144671980
CID 144671980
(3-propan-2-ylcyclopentyl)azanide;tungsten
CID 153472180
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane
CID 167456625
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-ylcyclohexan-1-amine oxide?
The IUPAC name of N-methyl-4-propan-2-ylcyclohexan-1-amine oxide (CID 163948904) is N-methyl-4-propan-2-ylcyclohexan-1-amine oxide.
What is the SMILES notation for N-methyl-4-propan-2-ylcyclohexan-1-amine oxide?
The canonical SMILES for N-methyl-4-propan-2-ylcyclohexan-1-amine oxide is CC(C)C1CCC([NH+](C)[O-])CC1.
What is the InChIKey of N-methyl-4-propan-2-ylcyclohexan-1-amine oxide?
The InChIKey is RXOLSCHWOVGDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)9-4-6-10(7-5-9)11(3)12/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-4-propan-2-ylcyclohexan-1-amine oxide?
N-methyl-4-propan-2-ylcyclohexan-1-amine oxide has a molecular weight of 171.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-ylcyclohexan-1-amine oxide is sourced from PubChem (CID 163948904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).