1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine

C13H25N3 — CID 115133067

IUPAC1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C13H25N3/c1-12(2,11-6-7-15-8-11)9-16-13(3,4)10-14-5/h6-8,14-16H,9-10H2,1-5H3
InChIKeyFFAXXHXSXNRJQZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.88
Rot. Bonds6

About 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine

1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine (PubChem CID 115133067) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
PubChem CID115133067
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C13H25N3/c1-12(2,11-6-7-15-8-11)9-16-13(3,4)10-14-5/h6-8,14-16H,9-10H2,1-5H3
InChIKeyFFAXXHXSXNRJQZ-UHFFFAOYSA-N
XLogP1.88
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115179044
1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
CID 115133071
N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine
CID 115143934
3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187811
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133058
3-methyl-N-propyl-3-(1H-pyrrol-3-yl)butan-1-amine
CID 79829614
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115245998

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine (CID 115133067) is 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine is CNCC(C)(C)NCC(C)(C)c1cc[nH]c1.
What is the InChIKey of 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine?
The InChIKey is FFAXXHXSXNRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-12(2,11-6-7-15-8-11)9-16-13(3,4)10-14-5/h6-8,14-16H,9-10H2,1-5H3.
What are the key properties of 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine?
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine has a molecular weight of 223.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine is sourced from PubChem (CID 115133067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).