2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine

C14H27NO — CID 79834755

IUPAC2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CCCOC1
InChIInChI=1S/C14H27NO/c1-14(2)8-4-3-7-13(14)15-10-12-6-5-9-16-11-12/h12-13,15H,3-11H2,1-2H3
InChIKeyVMYDWEZFTPMHKX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine

2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine (PubChem CID 79834755) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
PubChem CID79834755
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CCCOC1
InChIInChI=1S/C14H27NO/c1-14(2)8-4-3-7-13(14)15-10-12-6-5-9-16-11-12/h12-13,15H,3-11H2,1-2H3
InChIKeyVMYDWEZFTPMHKX-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 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine (CID 79834755) is 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine is CC1(C)CCCCC1NCC1CCCOC1.
What is the InChIKey of 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is VMYDWEZFTPMHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)8-4-3-7-13(14)15-10-12-6-5-9-16-11-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
2,2-dimethyl-N-(oxan-3-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 2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79834755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).