N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine

C12H23NO — CID 130492851

IUPACN,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine
SMILESCN(C[C@@H]1CO1)C1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO/c1-12(2)6-4-10(5-7-12)13(3)8-11-9-14-11/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyOLKVTFHXBNEKNR-LLVKDONJSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds3

About N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine

N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine (PubChem CID 130492851) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine
PubChem CID130492851
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine
SMILESCN(C[C@@H]1CO1)C1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO/c1-12(2)6-4-10(5-7-12)13(3)8-11-9-14-11/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyOLKVTFHXBNEKNR-LLVKDONJSA-N
XLogP2.29
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine (CID 130492851) is N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine is CN(C[C@@H]1CO1)C1CCC(C)(C)CC1.
What is the InChIKey of N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is OLKVTFHXBNEKNR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)6-4-10(5-7-12)13(3)8-11-9-14-11/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine?
N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 130492851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).