1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C15H27N3 — CID 70920211

IUPAC1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2C=CC(CCN)=CC2)C1
InChIInChI=1S/C15H27N3/c1-17(2)15-8-10-18(12-15)11-14-5-3-13(4-6-14)7-9-16/h3-5,14-15H,6-12,16H2,1-2H3
InChIKeyBWOHRYQMXBWSKK-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.47
Rot. Bonds5

About 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 70920211) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID70920211
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2C=CC(CCN)=CC2)C1
InChIInChI=1S/C15H27N3/c1-17(2)15-8-10-18(12-15)11-14-5-3-13(4-6-14)7-9-16/h3-5,14-15H,6-12,16H2,1-2H3
InChIKeyBWOHRYQMXBWSKK-UHFFFAOYSA-N
XLogP1.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine with MolForge

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Related Compounds

1-Fluoro-3-[4-(3-fluoro-3-methylpyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]butan-2-amine
CID 134316503
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine
CID 142337278
4-cyclohexa-1,5-dien-1-yl-1-(4-fluoropyrrolidin-3-yl)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dihydropyrrole
CID 143005240
5-Methyl-2,3,3a,7a-tetrahydro-1H-isoindol-3a-amine
CID 22902205
N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine
CID 22902208
6-Methyl-2,3,3a,7a-tetrahydro-1H-isoindol-3a-amine
CID 22902227
1H-Pyrrolo[3,4-B]pyridine, 2,3,5,6,7,7A-hexahydro-2,3-dimethyl-
CID 45091782
2-methyl-3,7a-dihydro-1H-isoindol-3a-amine
CID 69172430
(1S)-1-ethyl-N-methyl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
CID 69794695
1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine
CID 70334323
(5Z,7Z)-2-pyrrolidin-1-ylnona-5,7-dien-1-amine
CID 88274871
(4Z,6Z)-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine
CID 88274876

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 70920211) is 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CC2C=CC(CCN)=CC2)C1.
What is the InChIKey of 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BWOHRYQMXBWSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-17(2)15-8-10-18(12-15)11-14-5-3-13(4-6-14)7-9-16/h3-5,14-15H,6-12,16H2,1-2H3.
What are the key properties of 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 249.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 70920211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).