2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol

C18H36N2O — CID 102871050

IUPAC2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
SMILESCC1CCCC(CNC(C)C)(CN(CCO)C2CCC2)C1
InChIInChI=1S/C18H36N2O/c1-15(2)19-13-18(9-5-6-16(3)12-18)14-20(10-11-21)17-7-4-8-17/h15-17,19,21H,4-14H2,1-3H3
InChIKeyROLJXKZCEMMNNW-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds8

About 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol

2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol (PubChem CID 102871050) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
PubChem CID102871050
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
SMILESCC1CCCC(CNC(C)C)(CN(CCO)C2CCC2)C1
InChIInChI=1S/C18H36N2O/c1-15(2)19-13-18(9-5-6-16(3)12-18)14-20(10-11-21)17-7-4-8-17/h15-17,19,21H,4-14H2,1-3H3
InChIKeyROLJXKZCEMMNNW-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol with MolForge

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Related Compounds

3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol
CID 102870862
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858
2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
CID 62263505
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63493866
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
CID 107487176
2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol
CID 102871012
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
CID 65009202
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967160
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol (CID 102871050) is 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol is CC1CCCC(CNC(C)C)(CN(CCO)C2CCC2)C1.
What is the InChIKey of 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
The InChIKey is ROLJXKZCEMMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15(2)19-13-18(9-5-6-16(3)12-18)14-20(10-11-21)17-7-4-8-17/h15-17,19,21H,4-14H2,1-3H3.
What are the key properties of 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 102871050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).