(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol

C11H22N2O — CID 103789093

IUPAC(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
SMILESCC1CC(N[C@@H](C)CO)CN1C1CC1
InChIInChI=1S/C11H22N2O/c1-8(7-14)12-10-5-9(2)13(6-10)11-3-4-11/h8-12,14H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyZGCLBWZNMQEENY-IDKOKCKLSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds4

About (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol

(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol (PubChem CID 103789093) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
PubChem CID103789093
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
SMILESCC1CC(N[C@@H](C)CO)CN1C1CC1
InChIInChI=1S/C11H22N2O/c1-8(7-14)12-10-5-9(2)13(6-10)11-3-4-11/h8-12,14H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyZGCLBWZNMQEENY-IDKOKCKLSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719729
1-cyclopropyl-5-methyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidin-3-amine
CID 115722032
1-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719166
methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate
CID 104866700
4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol
CID 115725102
1-cyclopropyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 115713788
1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine
CID 115722163
1-cyclopropyl-5-methyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 113491658
N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713569
1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 104866703
5-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107302983

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol (CID 103789093) is (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol is CC1CC(N[C@@H](C)CO)CN1C1CC1.
What is the InChIKey of (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol?
The InChIKey is ZGCLBWZNMQEENY-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(7-14)12-10-5-9(2)13(6-10)11-3-4-11/h8-12,14H,3-7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol?
(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 103789093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).