2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol

C14H27NO3 — CID 64809774

IUPAC2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(COCC1CCOC1)C1CC1
InChIInChI=1S/C14H27NO3/c1-11(2)15-14(9-16,13-3-4-13)10-18-8-12-5-6-17-7-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyMKMPJRDSIWWIMC-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.18
Rot. Bonds8

About 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64809774) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64809774
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(COCC1CCOC1)C1CC1
InChIInChI=1S/C14H27NO3/c1-11(2)15-14(9-16,13-3-4-13)10-18-8-12-5-6-17-7-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyMKMPJRDSIWWIMC-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
CID 106450690
2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805041
2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol
CID 114342729
1-amino-2-cyclopropyl-3-(oxolan-3-ylmethoxy)propan-2-ol
CID 64819659
ethyl 2-cyclopropyl-2-(ethylamino)-3-(oxolan-3-ylmethoxy)propanoate
CID 63919336
2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
CID 64798204
2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64798573
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
CID 64810389
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 79628640
4-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)butanenitrile
CID 63055439

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol (CID 64809774) is 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(COCC1CCOC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is MKMPJRDSIWWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)15-14(9-16,13-3-4-13)10-18-8-12-5-6-17-7-12/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64809774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).