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

C10H23N3 — CID 142254760

IUPACN'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
SMILESCCN1CCC[C@H]1CNCCCN
InChIInChI=1S/C10H23N3/c1-2-13-8-3-5-10(13)9-12-7-4-6-11/h10,12H,2-9,11H2,1H3/t10-/m0/s1
InChIKeyQYEIMFWYUMKHND-JTQLQIEISA-N
MW185.31 g/mol
LogP0.41
Rot. Bonds6

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

N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine (PubChem CID 142254760) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
PubChem CID142254760
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
SMILESCCN1CCC[C@H]1CNCCCN
InChIInChI=1S/C10H23N3/c1-2-13-8-3-5-10(13)9-12-7-4-6-11/h10,12H,2-9,11H2,1H3/t10-/m0/s1
InChIKeyQYEIMFWYUMKHND-JTQLQIEISA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
CID 43090000
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962176
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441091
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041

Frequently Asked Questions

What is the IUPAC name of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine (CID 142254760) is N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine is CCN1CCC[C@H]1CNCCCN.
What is the InChIKey of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine?
The InChIKey is QYEIMFWYUMKHND-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23N3/c1-2-13-8-3-5-10(13)9-12-7-4-6-11/h10,12H,2-9,11H2,1H3/t10-/m0/s1.
What are the key properties of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine?
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 142254760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).