N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine

C7H17N3 — CID 22736323

IUPACN'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine
SMILESCN1CCCC1NCCN
InChIInChI=1S/C7H17N3/c1-10-6-2-3-7(10)9-5-4-8/h7,9H,2-6,8H2,1H3
InChIKeyGHJMCLDXWSEYFH-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.41
Rot. Bonds3

About N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine

N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine (PubChem CID 22736323) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine
PubChem CID22736323
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine
SMILESCN1CCCC1NCCN
InChIInChI=1S/C7H17N3/c1-10-6-2-3-7(10)9-5-4-8/h7,9H,2-6,8H2,1H3
InChIKeyGHJMCLDXWSEYFH-UHFFFAOYSA-N
XLogP-0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine (CID 22736323) is N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine is CN1CCCC1NCCN.
What is the InChIKey of N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine?
The InChIKey is GHJMCLDXWSEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-10-6-2-3-7(10)9-5-4-8/h7,9H,2-6,8H2,1H3.
What are the key properties of N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine?
N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrrolidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 22736323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).