3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol

C12H25NO2 — CID 104530280

IUPAC3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol
SMILESCOC1CCC(NC(C)C(C)CO)CC1
InChIInChI=1S/C12H25NO2/c1-9(8-14)10(2)13-11-4-6-12(15-3)7-5-11/h9-14H,4-8H2,1-3H3
InChIKeyCFVZRRQXBDNEMF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds5

About 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol

3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol (PubChem CID 104530280) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol
PubChem CID104530280
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol
SMILESCOC1CCC(NC(C)C(C)CO)CC1
InChIInChI=1S/C12H25NO2/c1-9(8-14)10(2)13-11-4-6-12(15-3)7-5-11/h9-14H,4-8H2,1-3H3
InChIKeyCFVZRRQXBDNEMF-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
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 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol (CID 104530280) is 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol is COC1CCC(NC(C)C(C)CO)CC1.
What is the InChIKey of 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol?
The InChIKey is CFVZRRQXBDNEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(8-14)10(2)13-11-4-6-12(15-3)7-5-11/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol?
3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 104530280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).