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

C15H29NO2 — CID 79138934

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
SMILESCC1(C)CCC(CN)(C(O)C2CCCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)5-7-15(11-16,8-6-14)13(17)12-4-3-9-18-10-12/h12-13,17H,3-11,16H2,1-2H3
InChIKeyGGYYCOKSBZMAJZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.32
Rot. Bonds3

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

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol (PubChem CID 79138934) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
PubChem CID79138934
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
SMILESCC1(C)CCC(CN)(C(O)C2CCCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)5-7-15(11-16,8-6-14)13(17)12-4-3-9-18-10-12/h12-13,17H,3-11,16H2,1-2H3
InChIKeyGGYYCOKSBZMAJZ-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137884
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138848
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
CID 79138103
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
(1-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136175
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol
CID 79138729
[1-(aminomethyl)-3-ethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137690
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
(2-methyloxolan-2-yl)-(oxan-3-yl)methanol
CID 107136169
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol (CID 79138934) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol is CC1(C)CCC(CN)(C(O)C2CCCOC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol?
The InChIKey is GGYYCOKSBZMAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2)5-7-15(11-16,8-6-14)13(17)12-4-3-9-18-10-12/h12-13,17H,3-11,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol has a molecular weight of 255.40 g/mol, XLogP of 2.32, 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]-(oxan-3-yl)methanol is sourced from PubChem (CID 79138934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).