3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol

C17H34N2O — CID 67562629

IUPAC3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(CN)CC(O)(C2(CN)CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)9-15(3,12-18)11-17(20,10-14)16(13-19)7-5-4-6-8-16/h20H,4-13,18-19H2,1-3H3
InChIKeyDOGYPDKXZVDWNT-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.80
Rot. Bonds3

About 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol

3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol (PubChem CID 67562629) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol
PubChem CID67562629
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(CN)CC(O)(C2(CN)CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)9-15(3,12-18)11-17(20,10-14)16(13-19)7-5-4-6-8-16/h20H,4-13,18-19H2,1-3H3
InChIKeyDOGYPDKXZVDWNT-UHFFFAOYSA-N
XLogP2.80
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol?
The IUPAC name of 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol (CID 67562629) is 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol is CC1(C)CC(C)(CN)CC(O)(C2(CN)CCCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol?
The InChIKey is DOGYPDKXZVDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)9-15(3,12-18)11-17(20,10-14)16(13-19)7-5-4-6-8-16/h20H,4-13,18-19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol?
3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 67562629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).