2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol

C16H32N2O — CID 102870906

IUPAC2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCC1CCC(NC)C(CN(CCO)C2CCC2)C1
InChIInChI=1S/C16H32N2O/c1-3-13-7-8-16(17-2)14(11-13)12-18(9-10-19)15-5-4-6-15/h13-17,19H,3-12H2,1-2H3
InChIKeyIXIKVTUGMHRMGN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds7

About 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol

2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol (PubChem CID 102870906) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
PubChem CID102870906
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCC1CCC(NC)C(CN(CCO)C2CCC2)C1
InChIInChI=1S/C16H32N2O/c1-3-13-7-8-16(17-2)14(11-13)12-18(9-10-19)15-5-4-6-15/h13-17,19H,3-12H2,1-2H3
InChIKeyIXIKVTUGMHRMGN-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62610841
2-[cyclobutyl-[[2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870950
2-[cyclopentyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62704902
2-[cyclopropyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62708874
2-[cyclohexyl-[[4-(methylamino)oxan-3-yl]methyl]amino]ethanol
CID 103059443
2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63484004
2-[[cyclopropyl(propyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62615565
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62608943
2-[cyclobutyl-[[2-(ethylamino)cyclohexyl]methyl]amino]ethanol
CID 102871036
4-ethyl-N-methyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 62615381
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 64519877

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol (CID 102870906) is 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol is CCC1CCC(NC)C(CN(CCO)C2CCC2)C1.
What is the InChIKey of 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol?
The InChIKey is IXIKVTUGMHRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-13-7-8-16(17-2)14(11-13)12-18(9-10-19)15-5-4-6-15/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol?
2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 102870906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).