1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine

C12H22N2 — CID 82491282

IUPAC1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine
SMILESCCC(N)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C12H22N2/c1-6-12(13)11-7-9(4)14(8(2)3)10(11)5/h7-8,12H,6,13H2,1-5H3
InChIKeyOHVAXFBYOILXFA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.10
Rot. Bonds3

About 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine (PubChem CID 82491282) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine
PubChem CID82491282
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine
SMILESCCC(N)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C12H22N2/c1-6-12(13)11-7-9(4)14(8(2)3)10(11)5/h7-8,12H,6,13H2,1-5H3
InChIKeyOHVAXFBYOILXFA-UHFFFAOYSA-N
XLogP3.10
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine
CID 96670380
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine
CID 112516291
3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid
CID 82499365
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole
CID 82492982
(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine
CID 30491833
3-bromo-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
CID 165398487
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
CID 130674225
4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477
1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea
CID 110776269
3-(1-aminopropyl)-4-methylaniline
CID 130000361

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine (CID 82491282) is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine is CCC(N)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine?
The InChIKey is OHVAXFBYOILXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-12(13)11-7-9(4)14(8(2)3)10(11)5/h7-8,12H,6,13H2,1-5H3.
What are the key properties of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine?
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 82491282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).