1-(aminomethyl)-2-tert-butylcyclohexan-1-ol

C11H23NO — CID 43436651

IUPAC1-(aminomethyl)-2-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)CN
InChIInChI=1S/C11H23NO/c1-10(2,3)9-6-4-5-7-11(9,13)8-12/h9,13H,4-8,12H2,1-3H3
InChIKeyILHJPJQGWGNBQI-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds1

About 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol

1-(aminomethyl)-2-tert-butylcyclohexan-1-ol (PubChem CID 43436651) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-tert-butylcyclohexan-1-ol
PubChem CID43436651
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(aminomethyl)-2-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)CN
InChIInChI=1S/C11H23NO/c1-10(2,3)9-6-4-5-7-11(9,13)8-12/h9,13H,4-8,12H2,1-3H3
InChIKeyILHJPJQGWGNBQI-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol (CID 43436651) is 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol?
The InChIKey is ILHJPJQGWGNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)9-6-4-5-7-11(9,13)8-12/h9,13H,4-8,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol?
1-(aminomethyl)-2-tert-butylcyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 43436651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).