(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol

C11H24N2O — CID 106933695

IUPAC(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(CC1CCCN1)C[C@H](C)O
InChIInChI=1S/C11H24N2O/c1-3-7-13(8-10(2)14)9-11-5-4-6-12-11/h10-12,14H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyTWQYMDGFVCJSCQ-VUWPPUDQSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds6

About (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol

(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (PubChem CID 106933695) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
PubChem CID106933695
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(CC1CCCN1)C[C@H](C)O
InChIInChI=1S/C11H24N2O/c1-3-7-13(8-10(2)14)9-11-5-4-6-12-11/h10-12,14H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyTWQYMDGFVCJSCQ-VUWPPUDQSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616013
1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106615678
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (CID 106933695) is (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is CCCN(CC1CCCN1)C[C@H](C)O.
What is the InChIKey of (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The InChIKey is TWQYMDGFVCJSCQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-7-13(8-10(2)14)9-11-5-4-6-12-11/h10-12,14H,3-9H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 106933695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).