(1-amino-4-ethylcyclohexyl)methanol;hydrochloride

C9H20ClNO — CID 146049827

IUPAC(1-amino-4-ethylcyclohexyl)methanol;hydrochloride
SMILESCCC1CCC(N)(CO)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-2-8-3-5-9(10,7-11)6-4-8;/h8,11H,2-7,10H2,1H3;1H
InChIKeyYGLNDRMYNZQLCX-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.70
Rot. Bonds2

About (1-amino-4-ethylcyclohexyl)methanol;hydrochloride

(1-amino-4-ethylcyclohexyl)methanol;hydrochloride (PubChem CID 146049827) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is (1-amino-4-ethylcyclohexyl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-amino-4-ethylcyclohexyl)methanol;hydrochloride
PubChem CID146049827
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name(1-amino-4-ethylcyclohexyl)methanol;hydrochloride
SMILESCCC1CCC(N)(CO)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-2-8-3-5-9(10,7-11)6-4-8;/h8,11H,2-7,10H2,1H3;1H
InChIKeyYGLNDRMYNZQLCX-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53621908
2-(1-Amino-4,4-dimethylcyclohexyl)ethan-1-ol hydrochloride
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[(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 130016956
[(1s,4r)-1-Amino-4-ethylcyclohexyl]methanol
CID 61055822
2-(1-Amino-4,4-dimethylcyclohexyl)ethan-1-ol
CID 65239801
1-(1-Amino-4-methylcyclohexyl)-3-fluoropropan-2-ol
CID 165595903
2-Amino-3-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 165690426
2-Amino-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 13293458
[4-(1-Aminoethyl)cyclohexyl]methanol
CID 20196947
2-Amino-2-pentylheptan-1-ol
CID 20480860
(1-Amino-4-methylcyclohexyl)methanol
CID 21302972
2-Amino-2-[3-(4-heptylcyclohexyl)propyl]propane-1,3-diol
CID 21849159

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-ethylcyclohexyl)methanol;hydrochloride?
The IUPAC name of (1-amino-4-ethylcyclohexyl)methanol;hydrochloride (CID 146049827) is (1-amino-4-ethylcyclohexyl)methanol;hydrochloride.
What is the SMILES notation for (1-amino-4-ethylcyclohexyl)methanol;hydrochloride?
The canonical SMILES for (1-amino-4-ethylcyclohexyl)methanol;hydrochloride is CCC1CCC(N)(CO)CC1.Cl.
What is the InChIKey of (1-amino-4-ethylcyclohexyl)methanol;hydrochloride?
The InChIKey is YGLNDRMYNZQLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-2-8-3-5-9(10,7-11)6-4-8;/h8,11H,2-7,10H2,1H3;1H.
What are the key properties of (1-amino-4-ethylcyclohexyl)methanol;hydrochloride?
(1-amino-4-ethylcyclohexyl)methanol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.70, 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;hydrochloride is sourced from PubChem (CID 146049827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).