3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine

C13H25NO — CID 62596889

IUPAC3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-11-3-2-6-13(14,9-11)10-12-4-7-15-8-5-12/h11-12H,2-10,14H2,1H3
InChIKeySNHADAAVBNQJIR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds2

About 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine

3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine (PubChem CID 62596889) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine
PubChem CID62596889
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-11-3-2-6-13(14,9-11)10-12-4-7-15-8-5-12/h11-12H,2-10,14H2,1H3
InChIKeySNHADAAVBNQJIR-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine (CID 62596889) is 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine is CC1CCCC(N)(CC2CCOCC2)C1.
What is the InChIKey of 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is SNHADAAVBNQJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-3-2-6-13(14,9-11)10-12-4-7-15-8-5-12/h11-12H,2-10,14H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine?
3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62596889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).