1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol

C18H37NO2 — CID 62405754

IUPAC1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCCC(NCC(O)COC(C)CC(C)C)C1CCCCC1
InChIInChI=1S/C18H37NO2/c1-5-18(16-9-7-6-8-10-16)19-12-17(20)13-21-15(4)11-14(2)3/h14-20H,5-13H2,1-4H3
InChIKeyAIVVQLCMNPDBKV-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.75
Rot. Bonds10

About 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol

1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 62405754) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID62405754
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCCC(NCC(O)COC(C)CC(C)C)C1CCCCC1
InChIInChI=1S/C18H37NO2/c1-5-18(16-9-7-6-8-10-16)19-12-17(20)13-21-15(4)11-14(2)3/h14-20H,5-13H2,1-4H3
InChIKeyAIVVQLCMNPDBKV-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
1-[(2-methylcyclopentyl)amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 55172046
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol
CID 80714149
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
propan-2-yl 2-(1-cyclohexylpropylamino)acetate
CID 62405403
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
2-amino-3-(1-cyclohexylpropylamino)propanoic acid
CID 103249979

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 62405754) is 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol is CCC(NCC(O)COC(C)CC(C)C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is AIVVQLCMNPDBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-5-18(16-9-7-6-8-10-16)19-12-17(20)13-21-15(4)11-14(2)3/h14-20H,5-13H2,1-4H3.
What are the key properties of 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 299.50 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 62405754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).