2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C9H19N3 — CID 82939280

IUPAC2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC1=NCCC1
InChIInChI=1S/C9H19N3/c1-8(7-12(2)3)11-9-5-4-6-10-9/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyVDCMBHILZYYSJC-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.72
Rot. Bonds3

About 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82939280) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82939280
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC1=NCCC1
InChIInChI=1S/C9H19N3/c1-8(7-12(2)3)11-9-5-4-6-10-9/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyVDCMBHILZYYSJC-UHFFFAOYSA-N
XLogP0.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82939280) is 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NC1=NCCC1.
What is the InChIKey of 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is VDCMBHILZYYSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(7-12(2)3)11-9-5-4-6-10-9/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dihydro-2H-pyrrol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82939280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).