2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine

C12H23N3 — CID 115136357

IUPAC2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine
SMILESCC(C)(N)CNCC(C)(C)c1ccc[nH]1
InChIInChI=1S/C12H23N3/c1-11(2,10-6-5-7-15-10)8-14-9-12(3,4)13/h5-7,14-15H,8-9,13H2,1-4H3
InChIKeyYNTJQBFZKPKAKK-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.62
Rot. Bonds5

About 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine

2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine (PubChem CID 115136357) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine
PubChem CID115136357
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine
SMILESCC(C)(N)CNCC(C)(C)c1ccc[nH]1
InChIInChI=1S/C12H23N3/c1-11(2,10-6-5-7-15-10)8-14-9-12(3,4)13/h5-7,14-15H,8-9,13H2,1-4H3
InChIKeyYNTJQBFZKPKAKK-UHFFFAOYSA-N
XLogP1.62
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpyrrole
CID 12489
2,4-Dimethylpyrrole
CID 39539
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
2-Phenylpyrrole
CID 72898
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
Nornicotyrine
CID 68125
2-Ethylpyrrole
CID 137075
1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
CID 413448
N-methyl,N-(benzyl),N-(pyrrol-2-ylmethyl)amine
CID 11805737
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
Dipyrromethane
CID 140814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine (CID 115136357) is 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine is CC(C)(N)CNCC(C)(C)c1ccc[nH]1.
What is the InChIKey of 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine?
The InChIKey is YNTJQBFZKPKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(2,10-6-5-7-15-10)8-14-9-12(3,4)13/h5-7,14-15H,8-9,13H2,1-4H3.
What are the key properties of 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine?
2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine is sourced from PubChem (CID 115136357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).