3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol

C8H18N2O — CID 156832815

IUPAC3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol
SMILESCN(CCCO)[C@H]1CCNC1
InChIInChI=1S/C8H18N2O/c1-10(5-2-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyLKUAUPNWZJITNG-QMMMGPOBSA-N
MW158.24 g/mol
LogP-0.34
Rot. Bonds4

About 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol

3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol (PubChem CID 156832815) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol
PubChem CID156832815
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol
SMILESCN(CCCO)[C@H]1CCNC1
InChIInChI=1S/C8H18N2O/c1-10(5-2-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyLKUAUPNWZJITNG-QMMMGPOBSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol (CID 156832815) is 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol is CN(CCCO)[C@H]1CCNC1.
What is the InChIKey of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?
The InChIKey is LKUAUPNWZJITNG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(5-2-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?
3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 156832815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).