5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol

C13H27NO2 — CID 104530285

IUPAC5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol
SMILESCOC1CCC(NCC(C)CC(C)O)CC1
InChIInChI=1S/C13H27NO2/c1-10(8-11(2)15)9-14-12-4-6-13(16-3)7-5-12/h10-15H,4-9H2,1-3H3
InChIKeyCJNZBKHAIYVGRV-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds6

About 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol

5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol (PubChem CID 104530285) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol
PubChem CID104530285
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol
SMILESCOC1CCC(NCC(C)CC(C)O)CC1
InChIInChI=1S/C13H27NO2/c1-10(8-11(2)15)9-14-12-4-6-13(16-3)7-5-12/h10-15H,4-9H2,1-3H3
InChIKeyCJNZBKHAIYVGRV-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Methylcyclohexyl)amino]cyclohexan-1-ol
CID 24131540
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
4-[(3-Methylcyclohexyl)amino]cyclohexanol
CID 5153173
2,2-Difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol
CID 104860559
4-[(4-Methylpentan-2-YL)amino]cyclohexan-1-OL
CID 43193900
cis-(1R,2S)-2-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724502
trans-(1R,2R)-2-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724503
2-[(Propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724504
4-(Propylamino)cyclohexan-1-ol
CID 13670659
4-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 15572885
4-[(2-Hydroxyethyl)amino]cyclohexanol
CID 19593989
4-(Ethylamino)cyclohexanol
CID 20134575

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol (CID 104530285) is 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol is COC1CCC(NCC(C)CC(C)O)CC1.
What is the InChIKey of 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol?
The InChIKey is CJNZBKHAIYVGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(8-11(2)15)9-14-12-4-6-13(16-3)7-5-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol?
5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 104530285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).