2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol

C14H29NO2 — CID 64802127

IUPAC2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COC(C)(C)CC)C1CC1
InChIInChI=1S/C14H29NO2/c1-5-9-15-14(10-16,12-7-8-12)11-17-13(3,4)6-2/h12,15-16H,5-11H2,1-4H3
InChIKeyIVBWOPFAGAFSMK-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds9

About 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol (PubChem CID 64802127) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol
PubChem CID64802127
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COC(C)(C)CC)C1CC1
InChIInChI=1S/C14H29NO2/c1-5-9-15-14(10-16,12-7-8-12)11-17-13(3,4)6-2/h12,15-16H,5-11H2,1-4H3
InChIKeyIVBWOPFAGAFSMK-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802589
ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
CID 63919160
2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol
CID 64810980
2-cyclopropyl-2-(propylamino)-3-propylsulfanylpropan-1-ol
CID 64819951
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propan-1-ol
CID 64790825
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267
3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64807100
2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol
CID 64804772
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
2-cyclopropyl-3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825822
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol (CID 64802127) is 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol is CCCNC(CO)(COC(C)(C)CC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol?
The InChIKey is IVBWOPFAGAFSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-9-15-14(10-16,12-7-8-12)11-17-13(3,4)6-2/h12,15-16H,5-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).