2-(1H-pyrrol-3-yl)propane-1,2-diamine

C7H13N3 — CID 116855585

IUPAC2-(1H-pyrrol-3-yl)propane-1,2-diamine
SMILESCC(N)(CN)c1cc[nH]c1
InChIInChI=1S/C7H13N3/c1-7(9,5-8)6-2-3-10-4-6/h2-4,10H,5,8-9H2,1H3
InChIKeyRHJZJGKHQZEHJW-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.15
Rot. Bonds2

About 2-(1H-pyrrol-3-yl)propane-1,2-diamine

2-(1H-pyrrol-3-yl)propane-1,2-diamine (PubChem CID 116855585) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)propane-1,2-diamine
PubChem CID116855585
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(1H-pyrrol-3-yl)propane-1,2-diamine
SMILESCC(N)(CN)c1cc[nH]c1
InChIInChI=1S/C7H13N3/c1-7(9,5-8)6-2-3-10-4-6/h2-4,10H,5,8-9H2,1H3
InChIKeyRHJZJGKHQZEHJW-UHFFFAOYSA-N
XLogP0.15
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylpyrrole
CID 39539
2,3-Dimethyl-1H-pyrrole
CID 39538
3-ethyl-1H-pyrrole
CID 258383
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
3,4-Diethylpyrrole
CID 10909563
3-ethyl-4-methyl-1H-pyrrole
CID 10877070
3-tert-butyl-1H-pyrrole
CID 11029829
3-n-Octylpyrrole
CID 14510078
1H-pyrrol-3-ylmethanamine
CID 23295846
3-isopropyl-1H-pyrrole
CID 13165124
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
1H-Pyrrole, 3-propyl-
CID 137076

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)propane-1,2-diamine?
The IUPAC name of 2-(1H-pyrrol-3-yl)propane-1,2-diamine (CID 116855585) is 2-(1H-pyrrol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-(1H-pyrrol-3-yl)propane-1,2-diamine is CC(N)(CN)c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)propane-1,2-diamine?
The InChIKey is RHJZJGKHQZEHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(9,5-8)6-2-3-10-4-6/h2-4,10H,5,8-9H2,1H3.
What are the key properties of 2-(1H-pyrrol-3-yl)propane-1,2-diamine?
2-(1H-pyrrol-3-yl)propane-1,2-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 116855585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).