2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol

C17H34N2O — CID 106251596

IUPAC2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1C1CCCN1
InChIInChI=1S/C17H34N2O/c1-3-17(4-2,13-20)12-19-16-9-6-5-8-14(16)15-10-7-11-18-15/h14-16,18-20H,3-13H2,1-2H3
InChIKeyYFHRMTAQWYDJEO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.69
Rot. Bonds7

About 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol (PubChem CID 106251596) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
PubChem CID106251596
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1C1CCCN1
InChIInChI=1S/C17H34N2O/c1-3-17(4-2,13-20)12-19-16-9-6-5-8-14(16)15-10-7-11-18-15/h14-16,18-20H,3-13H2,1-2H3
InChIKeyYFHRMTAQWYDJEO-UHFFFAOYSA-N
XLogP2.69
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
CID 106250807
2-methyl-3-[(2-piperidin-2-ylcyclohexyl)amino]propane-1,2-diol
CID 79552892
2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol
CID 79544601
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
N-(2-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 104759516
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
CID 79549663
2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol
CID 81412753
N-(2-methylprop-2-enyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114615679
2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 79540258
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 106289452
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol (CID 106251596) is 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCCCC1C1CCCN1.
What is the InChIKey of 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
The InChIKey is YFHRMTAQWYDJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-17(4-2,13-20)12-19-16-9-6-5-8-14(16)15-10-7-11-18-15/h14-16,18-20H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 106251596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).