1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol

C16H33NO2 — CID 61469442

IUPAC1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(NCC(O)COC1CCC(C)CC1)C(C)C
InChIInChI=1S/C16H33NO2/c1-5-16(12(2)3)17-10-14(18)11-19-15-8-6-13(4)7-9-15/h12-18H,5-11H2,1-4H3
InChIKeyMBEJKEYVMJMHBR-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds8

About 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol

1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol (PubChem CID 61469442) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
PubChem CID61469442
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(NCC(O)COC1CCC(C)CC1)C(C)C
InChIInChI=1S/C16H33NO2/c1-5-16(12(2)3)17-10-14(18)11-19-15-8-6-13(4)7-9-15/h12-18H,5-11H2,1-4H3
InChIKeyMBEJKEYVMJMHBR-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 63837233
1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 103600453
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81393883
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol (CID 61469442) is 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol is CCC(NCC(O)COC1CCC(C)CC1)C(C)C.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
The InChIKey is MBEJKEYVMJMHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-16(12(2)3)17-10-14(18)11-19-15-8-6-13(4)7-9-15/h12-18H,5-11H2,1-4H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 61469442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).