2-N-methyl-2-N-propylpyrrolidine-1,2-diamine

C8H19N3 — CID 175611319

IUPAC2-N-methyl-2-N-propylpyrrolidine-1,2-diamine
SMILESCCCN(C)C1CCCN1N
InChIInChI=1S/C8H19N3/c1-3-6-10(2)8-5-4-7-11(8)9/h8H,3-7,9H2,1-2H3
InChIKeyZAKUXTPKSFPVEJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.62
Rot. Bonds3

About 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine

2-N-methyl-2-N-propylpyrrolidine-1,2-diamine (PubChem CID 175611319) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-propylpyrrolidine-1,2-diamine
PubChem CID175611319
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2-N-methyl-2-N-propylpyrrolidine-1,2-diamine
SMILESCCCN(C)C1CCCN1N
InChIInChI=1S/C8H19N3/c1-3-6-10(2)8-5-4-7-11(8)9/h8H,3-7,9H2,1-2H3
InChIKeyZAKUXTPKSFPVEJ-UHFFFAOYSA-N
XLogP0.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine (CID 175611319) is 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine is CCCN(C)C1CCCN1N.
What is the InChIKey of 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine?
The InChIKey is ZAKUXTPKSFPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-6-10(2)8-5-4-7-11(8)9/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine?
2-N-methyl-2-N-propylpyrrolidine-1,2-diamine has a molecular weight of 157.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-propylpyrrolidine-1,2-diamine is sourced from PubChem (CID 175611319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).