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

C11H22N2 — CID 115310339

IUPAC2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)(CN)N1CC=CC1
InChIInChI=1S/C11H22N2/c1-10(2)8-11(3,9-12)13-6-4-5-7-13/h4-5,10H,6-9,12H2,1-3H3
InChIKeyZMPDPKKXFUTDDC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds4

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

2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine (PubChem CID 115310339) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine
PubChem CID115310339
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)(CN)N1CC=CC1
InChIInChI=1S/C11H22N2/c1-10(2)8-11(3,9-12)13-6-4-5-7-13/h4-5,10H,6-9,12H2,1-3H3
InChIKeyZMPDPKKXFUTDDC-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.62
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

2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
CID 103531727
2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
2-(8-azaspiro[4.5]decan-8-yl)-2,4-dimethylpentan-1-amine
CID 63157462
2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
CID 115310351
2,4-dimethyl-2-(2-methylmorpholin-4-yl)pentan-1-amine
CID 24706624
1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 115310346
2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine
CID 55217144
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,4-dimethylpentan-1-amine
CID 63150020
2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine
CID 114218328
1-(1-amino-2,4-dimethylpentan-2-yl)-2,6-dimethylpyridin-4-one
CID 115310323
2-(1-amino-2,4-dimethylpentan-2-yl)isoindole-1,3-dione
CID 115310319
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
CID 83226985

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine?
The IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine (CID 115310339) is 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine is CC(C)CC(C)(CN)N1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine?
The InChIKey is ZMPDPKKXFUTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)8-11(3,9-12)13-6-4-5-7-13/h4-5,10H,6-9,12H2,1-3H3.
What are the key properties of 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine?
2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 115310339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).