N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine

C10H23N3 — CID 94063622

IUPACN'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
SMILESCCN1CCC[C@H]1N(C)CCCN
InChIInChI=1S/C10H23N3/c1-3-13-9-4-6-10(13)12(2)8-5-7-11/h10H,3-9,11H2,1-2H3/t10-/m0/s1
InChIKeyNUSLQTFTUYOMOD-JTQLQIEISA-N
MW185.31 g/mol
LogP0.71
Rot. Bonds5

About N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine

N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine (PubChem CID 94063622) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
PubChem CID94063622
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
SMILESCCN1CCC[C@H]1N(C)CCCN
InChIInChI=1S/C10H23N3/c1-3-13-9-4-6-10(13)12(2)8-5-7-11/h10H,3-9,11H2,1-2H3/t10-/m0/s1
InChIKeyNUSLQTFTUYOMOD-JTQLQIEISA-N
XLogP0.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2R)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
CID 94063621
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine
CID 82855350
2-N-(1-ethylpyrrolidin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 69320907
N-(3-aminopropyl)-N-methyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 60973784
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine
CID 79006515
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine (CID 94063622) is N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine is CCN1CCC[C@H]1N(C)CCCN.
What is the InChIKey of N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine?
The InChIKey is NUSLQTFTUYOMOD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23N3/c1-3-13-9-4-6-10(13)12(2)8-5-7-11/h10H,3-9,11H2,1-2H3/t10-/m0/s1.
What are the key properties of N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine?
N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 94063622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).