cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine

C13H25NO — CID 124710143

IUPACcis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
SMILESCC[C@@H]1CCCC[C@H]1NC[C@H]1CCCO1
InChIInChI=1S/C13H25NO/c1-2-11-6-3-4-8-13(11)14-10-12-7-5-9-15-12/h11-14H,2-10H2,1H3/t11-,12-,13-/m1/s1
InChIKeySIXBBKJKOMPOES-JHJVBQTASA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine

cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine (PubChem CID 124710143) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
PubChem CID124710143
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Namecis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
SMILESCC[C@@H]1CCCC[C@H]1NC[C@H]1CCCO1
InChIInChI=1S/C13H25NO/c1-2-11-6-3-4-8-13(11)14-10-12-7-5-9-15-12/h11-14H,2-10H2,1H3/t11-,12-,13-/m1/s1
InChIKeySIXBBKJKOMPOES-JHJVBQTASA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-methyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64921005
[2-(oxan-2-ylmethylamino)cyclopentyl]methanol
CID 106360917
2-methoxy-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43765488
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
CID 79956591
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615673
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
(2R)-2-ethyloxolane
CID 641529
5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492476

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine (CID 124710143) is cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine is CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCO1.
What is the InChIKey of cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is SIXBBKJKOMPOES-JHJVBQTASA-N. The full InChI is InChI=1S/C13H25NO/c1-2-11-6-3-4-8-13(11)14-10-12-7-5-9-15-12/h11-14H,2-10H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 124710143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).