N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine

C12H23NO — CID 13025937

IUPACN-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCNC1CCCCC1CC1CCCO1
InChIInChI=1S/C12H23NO/c1-13-12-7-3-2-5-10(12)9-11-6-4-8-14-11/h10-13H,2-9H2,1H3
InChIKeyBKGOBLQSEWHMKD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine

N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 13025937) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID13025937
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCNC1CCCCC1CC1CCCO1
InChIInChI=1S/C12H23NO/c1-13-12-7-3-2-5-10(12)9-11-6-4-8-14-11/h10-13H,2-9H2,1H3
InChIKeyBKGOBLQSEWHMKD-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 13025937) is N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine is CNC1CCCCC1CC1CCCO1.
What is the InChIKey of N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is BKGOBLQSEWHMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-13-12-7-3-2-5-10(12)9-11-6-4-8-14-11/h10-13H,2-9H2,1H3.
What are the key properties of N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine?
N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 13025937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).