(1-amino-4-ethylcyclohexyl)methanol

C9H19NO — CID 61055822

IUPAC(1-amino-4-ethylcyclohexyl)methanol
SMILESCCC1CCC(N)(CO)CC1
InChIInChI=1S/C9H19NO/c1-2-8-3-5-9(10,7-11)6-4-8/h8,11H,2-7,10H2,1H3
InChIKeyQXCAMZSWINJGLA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds2

About (1-amino-4-ethylcyclohexyl)methanol

(1-amino-4-ethylcyclohexyl)methanol (PubChem CID 61055822) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1-amino-4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-amino-4-ethylcyclohexyl)methanol
PubChem CID61055822
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1-amino-4-ethylcyclohexyl)methanol
SMILESCCC1CCC(N)(CO)CC1
InChIInChI=1S/C9H19NO/c1-2-8-3-5-9(10,7-11)6-4-8/h8,11H,2-7,10H2,1H3
InChIKeyQXCAMZSWINJGLA-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-4-ethylcyclohexyl)methanol?
The IUPAC name of (1-amino-4-ethylcyclohexyl)methanol (CID 61055822) is (1-amino-4-ethylcyclohexyl)methanol.
What is the SMILES notation for (1-amino-4-ethylcyclohexyl)methanol?
The canonical SMILES for (1-amino-4-ethylcyclohexyl)methanol is CCC1CCC(N)(CO)CC1.
What is the InChIKey of (1-amino-4-ethylcyclohexyl)methanol?
The InChIKey is QXCAMZSWINJGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-8-3-5-9(10,7-11)6-4-8/h8,11H,2-7,10H2,1H3.
What are the key properties of (1-amino-4-ethylcyclohexyl)methanol?
(1-amino-4-ethylcyclohexyl)methanol has a molecular weight of 157.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-ethylcyclohexyl)methanol is sourced from PubChem (CID 61055822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).