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

C10H19N3 — CID 115252329

IUPAC2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)9(6-11)7-13-10-4-3-5-12-10/h3-5,8-9,12-13H,6-7,11H2,1-2H3
InChIKeyXFNPAAMJJVQBAJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.66
Rot. Bonds5

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

2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine (PubChem CID 115252329) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
PubChem CID115252329
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)9(6-11)7-13-10-4-3-5-12-10/h3-5,8-9,12-13H,6-7,11H2,1-2H3
InChIKeyXFNPAAMJJVQBAJ-UHFFFAOYSA-N
XLogP1.66
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442365
N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252326
3-methyl-4-(1H-pyrrol-2-ylamino)butanoic acid
CID 115219718
N,N'-bis(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 163759001
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
CID 107441576
lithium;N-ethyl-1H-pyrrol-2-amine;hydride
CID 173205429
N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442489
3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
CID 115138127
6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266426
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine (CID 115252329) is 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine is CC(C)C(CN)CNc1ccc[nH]1.
What is the InChIKey of 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
The InChIKey is XFNPAAMJJVQBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9(6-11)7-13-10-4-3-5-12-10/h3-5,8-9,12-13H,6-7,11H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115252329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).