2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol

C13H26N2O2 — CID 64798204

IUPAC2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCOCC1)C1CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-13(10-16,12-3-4-12)9-15-5-7-17-8-6-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyXXGKVTKSRLHQIM-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.46
Rot. Bonds6

About 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64798204) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64798204
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCOCC1)C1CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-13(10-16,12-3-4-12)9-15-5-7-17-8-6-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyXXGKVTKSRLHQIM-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64798573
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114540865
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64798783
2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
CID 64789899
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64826996
2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64791236
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 102887325
2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64809774
2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol (CID 64798204) is 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CN1CCOCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is XXGKVTKSRLHQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)14-13(10-16,12-3-4-12)9-15-5-7-17-8-6-15/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64798204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).