2-[1,4-bis(aminomethyl)cyclohexyl]ethanol

C10H22N2O — CID 86735230

IUPAC2-[1,4-bis(aminomethyl)cyclohexyl]ethanol
SMILESNCC1CCC(CN)(CCO)CC1
InChIInChI=1S/C10H22N2O/c11-7-9-1-3-10(8-12,4-2-9)5-6-13/h9,13H,1-8,11-12H2
InChIKeyOVXDMRMPJQNZJH-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.46
Rot. Bonds4

About 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol

2-[1,4-bis(aminomethyl)cyclohexyl]ethanol (PubChem CID 86735230) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1,4-bis(aminomethyl)cyclohexyl]ethanol
PubChem CID86735230
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[1,4-bis(aminomethyl)cyclohexyl]ethanol
SMILESNCC1CCC(CN)(CCO)CC1
InChIInChI=1S/C10H22N2O/c11-7-9-1-3-10(8-12,4-2-9)5-6-13/h9,13H,1-8,11-12H2
InChIKeyOVXDMRMPJQNZJH-UHFFFAOYSA-N
XLogP0.46
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
[4-(aminomethyl)-4-methylcyclohexyl]methanamine
CID 123492077
2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol
CID 83908354
[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 65393489
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394943
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
CID 65393494
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
[1-(2-cyclohexylethyl)cycloheptyl]methanamine
CID 114193187
[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
CID 69118044
(4,4-dimethoxycyclohexyl)methanamine
CID 83695645

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol?
The IUPAC name of 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol (CID 86735230) is 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol is NCC1CCC(CN)(CCO)CC1.
What is the InChIKey of 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol?
The InChIKey is OVXDMRMPJQNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c11-7-9-1-3-10(8-12,4-2-9)5-6-13/h9,13H,1-8,11-12H2.
What are the key properties of 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol?
2-[1,4-bis(aminomethyl)cyclohexyl]ethanol has a molecular weight of 186.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(aminomethyl)cyclohexyl]ethanol is sourced from PubChem (CID 86735230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).