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

C15H31N3O — CID 64789657

IUPAC2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
SMILESCCCNC(C)(CO)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-3-7-16-15(2,13-19)12-17-10-6-14(11-17)18-8-4-5-9-18/h14,16,19H,3-13H2,1-2H3
InChIKeyNUWKZPATPGBWGP-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds7

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

2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol (PubChem CID 64789657) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
PubChem CID64789657
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
SMILESCCCNC(C)(CO)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-3-7-16-15(2,13-19)12-17-10-6-14(11-17)18-8-4-5-9-18/h14,16,19H,3-13H2,1-2H3
InChIKeyNUWKZPATPGBWGP-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64790053
3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 113419309
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636
2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
CID 64791863
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
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64791067
2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792489
2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64790692
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
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64790955
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol
CID 104961376
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol (CID 64789657) is 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol is CCCNC(C)(CO)CN1CCC(N2CCCC2)C1.
What is the InChIKey of 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is NUWKZPATPGBWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-7-16-15(2,13-19)12-17-10-6-14(11-17)18-8-4-5-9-18/h14,16,19H,3-13H2,1-2H3.
What are the key properties of 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol?
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 64789657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).