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

C12H23NO — CID 130758387

IUPAC[4-(oxan-4-yl)cyclohexyl]methanamine
SMILESNCC1CCC(C2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h10-12H,1-9,13H2
InChIKeyBBLRYXOOOJNWHI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds2

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

[4-(oxan-4-yl)cyclohexyl]methanamine (PubChem CID 130758387) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [4-(oxan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(oxan-4-yl)cyclohexyl]methanamine
PubChem CID130758387
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[4-(oxan-4-yl)cyclohexyl]methanamine
SMILESNCC1CCC(C2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h10-12H,1-9,13H2
InChIKeyBBLRYXOOOJNWHI-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 53256412
(3-cyclohexylcyclopentyl)methanamine
CID 83636273
[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
CID 124658554
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine
CID 62387329
4-(3-chlorocyclopentyl)oxane
CID 64515417
oxan-4-amine;pentakis(yttrium)
CID 158916020
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(oxan-4-yl)cyclohexyl]methanamine (CID 130758387) is [4-(oxan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(oxan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(oxan-4-yl)cyclohexyl]methanamine is NCC1CCC(C2CCOCC2)CC1.
What is the InChIKey of [4-(oxan-4-yl)cyclohexyl]methanamine?
The InChIKey is BBLRYXOOOJNWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h10-12H,1-9,13H2.
What are the key properties of [4-(oxan-4-yl)cyclohexyl]methanamine?
[4-(oxan-4-yl)cyclohexyl]methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 130758387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).