2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol

C17H33N3O — CID 64790053

IUPAC2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
SMILESCCCNC(CO)(CN1CCC(N2CCCC2)C1)C1CC1
InChIInChI=1S/C17H33N3O/c1-2-8-18-17(14-21,15-5-6-15)13-19-11-7-16(12-19)20-9-3-4-10-20/h15-16,18,21H,2-14H2,1H3
InChIKeyARIIUDOUHRMQLQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.30
Rot. Bonds8

About 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol

2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol (PubChem CID 64790053) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
PubChem CID64790053
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
SMILESCCCNC(CO)(CN1CCC(N2CCCC2)C1)C1CC1
InChIInChI=1S/C17H33N3O/c1-2-8-18-17(14-21,15-5-6-15)13-19-11-7-16(12-19)20-9-3-4-10-20/h15-16,18,21H,2-14H2,1H3
InChIKeyARIIUDOUHRMQLQ-UHFFFAOYSA-N
XLogP1.30
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol
CID 64795703
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64796232
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol
CID 81468853
2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
CID 64791863
2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol
CID 64809169
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(propylamino)propanoic acid
CID 63150742
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464
2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792489
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63925815
2-cyclopropyl-2-(propylamino)-3-propylsulfanylpropan-1-ol
CID 64819951

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol (CID 64790053) is 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol is CCCNC(CO)(CN1CCC(N2CCCC2)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is ARIIUDOUHRMQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-8-18-17(14-21,15-5-6-15)13-19-11-7-16(12-19)20-9-3-4-10-20/h15-16,18,21H,2-14H2,1H3.
What are the key properties of 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 295.47 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 64790053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).