1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine

C11H21N3 — CID 131113544

IUPAC1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCN(CCC)C1
InChIInChI=1S/C11H21N3/c1-2-6-13-8-5-10(9-13)14-7-3-4-11(14)12/h10,12H,2-9H2,1H3/b12-11+
InChIKeyQJDNMARXLHJBCI-VAWYXSNFSA-N
MW195.31 g/mol
LogP1.54
Rot. Bonds3

About 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine

1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine (PubChem CID 131113544) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine
PubChem CID131113544
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCN(CCC)C1
InChIInChI=1S/C11H21N3/c1-2-6-13-8-5-10(9-13)14-7-3-4-11(14)12/h10,12H,2-9H2,1H3/b12-11+
InChIKeyQJDNMARXLHJBCI-VAWYXSNFSA-N
XLogP1.54
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylpyrrolidin-2-imine
CID 43121965
1-(3-methylcyclopentyl)piperidin-2-imine
CID 114547607
1-(2,2-diethyloxan-4-yl)piperidin-2-imine
CID 83029021
1-(1-propylpyrrolidin-3-yl)imidazolidin-2-one
CID 131114947
1-(3,5-dimethylcyclohexyl)piperidin-2-imine
CID 64734642
1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine
CID 107853052
1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine
CID 60856218
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
5-(2-iminopyrrolidin-1-yl)piperidin-2-one
CID 63661241
1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine
CID 79871416
tert-butyl 4-(2-iminopiperidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-sulfanylidenepiperidin-1-yl)piperidine-1-carboxylate
CID 160704313
1-heptan-2-ylpyrrolidin-2-imine
CID 61464901

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine?
The IUPAC name of 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine (CID 131113544) is 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine?
The canonical SMILES for 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C1CCN(CCC)C1.
What is the InChIKey of 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine?
The InChIKey is QJDNMARXLHJBCI-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-6-13-8-5-10(9-13)14-7-3-4-11(14)12/h10,12H,2-9H2,1H3/b12-11+.
What are the key properties of 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine?
1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine has a molecular weight of 195.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine is sourced from PubChem (CID 131113544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).