[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol

C17H33NO2 — CID 104576133

IUPAC[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(C(O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H33NO2/c1-16(2,3)14-6-4-13(5-7-14)15(19)17(12-18)8-10-20-11-9-17/h13-15,19H,4-12,18H2,1-3H3
InChIKeyXQBBBGQAYOMXPU-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.96
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol

[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol (PubChem CID 104576133) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
PubChem CID104576133
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(C(O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H33NO2/c1-16(2,3)14-6-4-13(5-7-14)15(19)17(12-18)8-10-20-11-9-17/h13-15,19H,4-12,18H2,1-3H3
InChIKeyXQBBBGQAYOMXPU-UHFFFAOYSA-N
XLogP2.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol (CID 104576133) is [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol is CC(C)(C)C1CCC(C(O)C2(CN)CCOCC2)CC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol?
The InChIKey is XQBBBGQAYOMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-16(2,3)14-6-4-13(5-7-14)15(19)17(12-18)8-10-20-11-9-17/h13-15,19H,4-12,18H2,1-3H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol?
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol has a molecular weight of 283.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol is sourced from PubChem (CID 104576133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).