2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol

C18H36N2O — CID 62608943

IUPAC2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
SMILESCCCC1CCC(N)C(CN(CCO)C2CCCCC2)C1
InChIInChI=1S/C18H36N2O/c1-2-6-15-9-10-18(19)16(13-15)14-20(11-12-21)17-7-4-3-5-8-17/h15-18,21H,2-14,19H2,1H3
InChIKeyJKGABWKZURFHKH-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.16
Rot. Bonds7

About 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol

2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol (PubChem CID 62608943) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
PubChem CID62608943
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
SMILESCCCC1CCC(N)C(CN(CCO)C2CCCCC2)C1
InChIInChI=1S/C18H36N2O/c1-2-6-15-9-10-18(19)16(13-15)14-20(11-12-21)17-7-4-3-5-8-17/h15-18,21H,2-14,19H2,1H3
InChIKeyJKGABWKZURFHKH-UHFFFAOYSA-N
XLogP3.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093550
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608938
2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62707763
2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol
CID 102870978
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
CID 102870921
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62614047
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870906
2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63493740
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 112664707

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol (CID 62608943) is 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol is CCCC1CCC(N)C(CN(CCO)C2CCCCC2)C1.
What is the InChIKey of 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol?
The InChIKey is JKGABWKZURFHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-6-15-9-10-18(19)16(13-15)14-20(11-12-21)17-7-4-3-5-8-17/h15-18,21H,2-14,19H2,1H3.
What are the key properties of 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol?
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol has a molecular weight of 296.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 62608943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).