[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol

C14H27NO2 — CID 79137884

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
SMILESCC1(C)CCC(CN)(C(O)C2CCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)4-6-14(10-15,7-5-13)12(16)11-3-8-17-9-11/h11-12,16H,3-10,15H2,1-2H3
InChIKeyMKXLONZMDZDYBH-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.93
Rot. Bonds3

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol (PubChem CID 79137884) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
PubChem CID79137884
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
SMILESCC1(C)CCC(CN)(C(O)C2CCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)4-6-14(10-15,7-5-13)12(16)11-3-8-17-9-11/h11-12,16H,3-10,15H2,1-2H3
InChIKeyMKXLONZMDZDYBH-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol (CID 79137884) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol is CC1(C)CCC(CN)(C(O)C2CCOC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol?
The InChIKey is MKXLONZMDZDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)4-6-14(10-15,7-5-13)12(16)11-3-8-17-9-11/h11-12,16H,3-10,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol has a molecular weight of 241.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol is sourced from PubChem (CID 79137884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).