[4-(cyclohexylmethyl)oxan-4-yl]methanamine

C13H25NO — CID 62906945

IUPAC[4-(cyclohexylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2CCCCC2)CCOCC1
InChIInChI=1S/C13H25NO/c14-11-13(6-8-15-9-7-13)10-12-4-2-1-3-5-12/h12H,1-11,14H2
InChIKeyWKLOFYFPVZKEMI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds3

About [4-(cyclohexylmethyl)oxan-4-yl]methanamine

[4-(cyclohexylmethyl)oxan-4-yl]methanamine (PubChem CID 62906945) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)oxan-4-yl]methanamine
PubChem CID62906945
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[4-(cyclohexylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2CCCCC2)CCOCC1
InChIInChI=1S/C13H25NO/c14-11-13(6-8-15-9-7-13)10-12-4-2-1-3-5-12/h12H,1-11,14H2
InChIKeyWKLOFYFPVZKEMI-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
CID 130067900
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
4-(cyclopropylmethyl)oxan-4-amine
CID 91654794
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(cyclohexylmethyl)oxan-4-yl]methanamine (CID 62906945) is [4-(cyclohexylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(cyclohexylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(cyclohexylmethyl)oxan-4-yl]methanamine is NCC1(CC2CCCCC2)CCOCC1.
What is the InChIKey of [4-(cyclohexylmethyl)oxan-4-yl]methanamine?
The InChIKey is WKLOFYFPVZKEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-11-13(6-8-15-9-7-13)10-12-4-2-1-3-5-12/h12H,1-11,14H2.
What are the key properties of [4-(cyclohexylmethyl)oxan-4-yl]methanamine?
[4-(cyclohexylmethyl)oxan-4-yl]methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62906945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).