1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine

C10H19N3 — CID 116954049

IUPAC1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine
SMILESCNC(c1ccc[nH]1)C(C)(C)NC
InChIInChI=1S/C10H19N3/c1-10(2,12-4)9(11-3)8-6-5-7-13-8/h5-7,9,11-13H,1-4H3
InChIKeyWPPWWPGTWIIDIV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.27
Rot. Bonds4

About 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine

1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine (PubChem CID 116954049) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine
PubChem CID116954049
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine
SMILESCNC(c1ccc[nH]1)C(C)(C)NC
InChIInChI=1S/C10H19N3/c1-10(2,12-4)9(11-3)8-6-5-7-13-8/h5-7,9,11-13H,1-4H3
InChIKeyWPPWWPGTWIIDIV-UHFFFAOYSA-N
XLogP1.27
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine (CID 116954049) is 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine is CNC(c1ccc[nH]1)C(C)(C)NC.
What is the InChIKey of 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine?
The InChIKey is WPPWWPGTWIIDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,12-4)9(11-3)8-6-5-7-13-8/h5-7,9,11-13H,1-4H3.
What are the key properties of 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine?
1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 116954049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).