N-(1-cyclohexylethyl)-2-methyloxolan-3-amine

C13H25NO — CID 115338729

IUPACN-(1-cyclohexylethyl)-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-10(12-6-4-3-5-7-12)14-13-8-9-15-11(13)2/h10-14H,3-9H2,1-2H3
InChIKeyIHWBCMWBCMIPMR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds3

About N-(1-cyclohexylethyl)-2-methyloxolan-3-amine

N-(1-cyclohexylethyl)-2-methyloxolan-3-amine (PubChem CID 115338729) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-methyloxolan-3-amine
PubChem CID115338729
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(1-cyclohexylethyl)-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-10(12-6-4-3-5-7-12)14-13-8-9-15-11(13)2/h10-14H,3-9H2,1-2H3
InChIKeyIHWBCMWBCMIPMR-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-methyloxolan-3-amine
CID 82718726
N-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533
(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
CID 97358167
N-(1-cyclopentylethyl)-2-methylcyclopentan-1-amine
CID 63277954
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine
CID 43765373
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
N-(1-cyclobutylethyl)-2-methyloxan-4-amine
CID 115897450

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(1-cyclohexylethyl)-2-methyloxolan-3-amine (CID 115338729) is N-(1-cyclohexylethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-2-methyloxolan-3-amine is CC(NC1CCOC1C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-methyloxolan-3-amine?
The InChIKey is IHWBCMWBCMIPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(12-6-4-3-5-7-12)14-13-8-9-15-11(13)2/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(1-cyclohexylethyl)-2-methyloxolan-3-amine?
N-(1-cyclohexylethyl)-2-methyloxolan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 115338729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).