N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine

C10H23N3 — CID 66565691

IUPACN'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
SMILESCCN(CCN)C[C@@H]1CCCN1C
InChIInChI=1S/C10H23N3/c1-3-13(8-6-11)9-10-5-4-7-12(10)2/h10H,3-9,11H2,1-2H3/t10-/m0/s1
InChIKeyALMNYNHMJMWNAE-JTQLQIEISA-N
MW185.31 g/mol
LogP0.36
Rot. Bonds5

About N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine

N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine (PubChem CID 66565691) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
PubChem CID66565691
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
SMILESCCN(CCN)C[C@@H]1CCCN1C
InChIInChI=1S/C10H23N3/c1-3-13(8-6-11)9-10-5-4-7-12(10)2/h10H,3-9,11H2,1-2H3/t10-/m0/s1
InChIKeyALMNYNHMJMWNAE-JTQLQIEISA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine (CID 66565691) is N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine is CCN(CCN)C[C@@H]1CCCN1C.
What is the InChIKey of N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is ALMNYNHMJMWNAE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23N3/c1-3-13(8-6-11)9-10-5-4-7-12(10)2/h10H,3-9,11H2,1-2H3/t10-/m0/s1.
What are the key properties of N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine?
N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 66565691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).