4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine

C9H18N2 — CID 131182970

IUPAC4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCN1CC=CC1
InChIInChI=1S/C9H18N2/c1-9(2,10)5-8-11-6-3-4-7-11/h3-4H,5-8,10H2,1-2H3
InChIKeyCQYSAADVOKPLHG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.99
Rot. Bonds3

About 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine

4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine (PubChem CID 131182970) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine
PubChem CID131182970
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCN1CC=CC1
InChIInChI=1S/C9H18N2/c1-9(2,10)5-8-11-6-3-4-7-11/h3-4H,5-8,10H2,1-2H3
InChIKeyCQYSAADVOKPLHG-UHFFFAOYSA-N
XLogP0.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
CID 64680572
4-(2,5-dihydropyrrol-1-yl)butan-2-amine
CID 65417497
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 64679336
1-(3-amino-3-methylbutyl)piperidin-3-ol
CID 82405665
2-methyl-4-(2-methylmorpholin-4-yl)butan-2-amine
CID 64678329
1-(2-chloroethyl)-2,5-dihydropyrrole
CID 55301090
1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione
CID 83817356
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutan-2-amine
CID 64682484
1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol
CID 106291203
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol
CID 130847371

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine (CID 131182970) is 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine is CC(C)(N)CCN1CC=CC1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine?
The InChIKey is CQYSAADVOKPLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,10)5-8-11-6-3-4-7-11/h3-4H,5-8,10H2,1-2H3.
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine?
4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 131182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).