1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol

C15H31NO2 — CID 60634369

IUPAC1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
SMILESCCCC(C)NCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-4-6-13(3)16-10-14(17)11-18-15-8-5-7-12(2)9-15/h12-17H,4-11H2,1-3H3
InChIKeySKMAWLFCLUUTJP-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds8

About 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol

1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol (PubChem CID 60634369) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
PubChem CID60634369
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
SMILESCCCC(C)NCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-4-6-13(3)16-10-14(17)11-18-15-8-5-7-12(2)9-15/h12-17H,4-11H2,1-3H3
InChIKeySKMAWLFCLUUTJP-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 54963637
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol (CID 60634369) is 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol is CCCC(C)NCC(O)COC1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol?
The InChIKey is SKMAWLFCLUUTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-6-13(3)16-10-14(17)11-18-15-8-5-7-12(2)9-15/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol?
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60634369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).