2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine

C9H17N3 — CID 115131923

IUPAC2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine
SMILESCC(C)(CN)NCc1cc[nH]c1
InChIInChI=1S/C9H17N3/c1-9(2,7-10)12-6-8-3-4-11-5-8/h3-5,11-12H,6-7,10H2,1-2H3
InChIKeyRQCVQGCWLXFZGX-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.84
Rot. Bonds4

About 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine

2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine (PubChem CID 115131923) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine
PubChem CID115131923
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine
SMILESCC(C)(CN)NCc1cc[nH]c1
InChIInChI=1S/C9H17N3/c1-9(2,7-10)12-6-8-3-4-11-5-8/h3-5,11-12H,6-7,10H2,1-2H3
InChIKeyRQCVQGCWLXFZGX-UHFFFAOYSA-N
XLogP0.84
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine (CID 115131923) is 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine is CC(C)(CN)NCc1cc[nH]c1.
What is the InChIKey of 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine?
The InChIKey is RQCVQGCWLXFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,7-10)12-6-8-3-4-11-5-8/h3-5,11-12H,6-7,10H2,1-2H3.
What are the key properties of 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine?
2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 115131923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).