3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C14H27NO — CID 43179226

IUPAC3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(NCC2CCCO2)CC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-11-7-12(9-14(2,3)8-11)15-10-13-5-4-6-16-13/h11-13,15H,4-10H2,1-3H3
InChIKeySDJHUYFMXQAWJQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 43179226) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID43179226
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(NCC2CCCO2)CC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-11-7-12(9-14(2,3)8-11)15-10-13-5-4-6-16-13/h11-13,15H,4-10H2,1-3H3
InChIKeySDJHUYFMXQAWJQ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 43179226) is 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CC1CC(NCC2CCCO2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is SDJHUYFMXQAWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-7-12(9-14(2,3)8-11)15-10-13-5-4-6-16-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43179226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).