1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine

C12H23N3 — CID 63181618

IUPAC1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H23N3/c1-2-5-12(13)15-9-6-11(10-15)14-7-3-4-8-14/h11,13H,2-10H2,1H3/b13-12+
InChIKeyPKYGIEWCUPWNRM-OUKQBFOZSA-N
MW209.34 g/mol
LogP1.93
Rot. Bonds3

About 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine

1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine (PubChem CID 63181618) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine
PubChem CID63181618
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H23N3/c1-2-5-12(13)15-9-6-11(10-15)14-7-3-4-8-14/h11,13H,2-10H2,1H3/b13-12+
InChIKeyPKYGIEWCUPWNRM-OUKQBFOZSA-N
XLogP1.93
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butanimidoyl-N,N-dimethylpyrrolidin-3-amine
CID 63181326
1-(3,4-dimethylpiperazin-1-yl)butan-1-imine
CID 63603592
1-(7-azabicyclo[2.2.1]heptan-7-yl)butan-1-imine
CID 131000820
1-(8-azabicyclo[3.2.1]octan-8-yl)butan-1-imine
CID 131091705
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 83036980
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanimine
CID 79936937
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
ethyl (4S)-4-(4-butanimidoylpiperidin-1-yl)azepane-1-carboxylate
CID 167180594

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine?
The IUPAC name of 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine (CID 63181618) is 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine?
The InChIKey is PKYGIEWCUPWNRM-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-5-12(13)15-9-6-11(10-15)14-7-3-4-8-14/h11,13H,2-10H2,1H3/b13-12+.
What are the key properties of 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine?
1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine has a molecular weight of 209.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine is sourced from PubChem (CID 63181618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).