trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride

C8H18ClNO — CID 66589139

IUPACtrans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride
SMILESCCO[C@@H]1CCCC[C@H]1N.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h7-8H,2-6,9H2,1H3;1H/t7-,8-;/m1./s1
InChIKeyRTFJRBOHHFQHHC-SCLLHFNJSA-N
MW179.69 g/mol
LogP1.71
Rot. Bonds2

About trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride

trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride (PubChem CID 66589139) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride
PubChem CID66589139
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Nametrans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride
SMILESCCO[C@@H]1CCCC[C@H]1N.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h7-8H,2-6,9H2,1H3;1H/t7-,8-;/m1./s1
InChIKeyRTFJRBOHHFQHHC-SCLLHFNJSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propoxycyclohexanamine
CID 21882551
rac-(1R,2R)-2-methoxycyclohexan-1-amine
CID 28121869
rac-(1R,2S)-2-methoxycyclohexan-1-amine hydrochloride
CID 67541561
4-(Propan-2-yloxy)cyclohexan-1-amine hydrochloride
CID 126802734
2-Methoxycyclohexan-1-amine
CID 22250879
4-(Propan-2-yloxy)cyclohexan-1-amine
CID 54368474
rac-(1R,2R)-2-(2-methoxyethoxy)cyclohexan-1-amine
CID 28148615
(2-Aminoethoxy)cyclohexane hydrochloride
CID 45791930
(1R,2R)-2-(tert-butoxy)cyclohexan-1-amine hydrochloride
CID 137945227
(1S,2S)-2-(tert-butoxy)cyclohexan-1-amine hydrochloride
CID 137945228
4-Ethoxycyclohexanamine
CID 232633
rac-(1R,2R)-2-ethoxycyclohexan-1-amine, trans
CID 36689169

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride (CID 66589139) is trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride is CCO[C@@H]1CCCC[C@H]1N.Cl.
What is the InChIKey of trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride?
The InChIKey is RTFJRBOHHFQHHC-SCLLHFNJSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h7-8H,2-6,9H2,1H3;1H/t7-,8-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride?
trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethoxycyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 66589139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).