1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine

C11H21N3 — CID 60856218

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1CCN(CC)C1
InChIInChI=1S/C11H21N3/c1-2-13-7-5-10(8-13)9-14-6-3-4-11(14)12/h10,12H,2-9H2,1H3/b12-11+
InChIKeyQVMKTHPURPDYMM-VAWYXSNFSA-N
MW195.31 g/mol
LogP1.40
Rot. Bonds3

About 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine

1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine (PubChem CID 60856218) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine
PubChem CID60856218
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1CCN(CC)C1
InChIInChI=1S/C11H21N3/c1-2-13-7-5-10(8-13)9-14-6-3-4-11(14)12/h10,12H,2-9H2,1H3/b12-11+
InChIKeyQVMKTHPURPDYMM-VAWYXSNFSA-N
XLogP1.40
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 ≤ 51.40
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-(cycloheptylmethyl)pyrrolidin-2-imine
CID 131007201
1-[(3-methylcyclopentyl)methyl]pyrrolidin-2-imine
CID 107413702
1-[(4-ethylmorpholin-2-yl)methyl]piperidin-2-imine
CID 114400417
1-(2-cyclohexylethyl)pyrrolidin-2-imine
CID 60920084
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine
CID 164660868
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
CID 62640522
1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine
CID 131113544
1,3-diethylpyrrolidine;ethane
CID 145103245
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171641277

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine (CID 60856218) is 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1CC1CCN(CC)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine?
The InChIKey is QVMKTHPURPDYMM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-13-7-5-10(8-13)9-14-6-3-4-11(14)12/h10,12H,2-9H2,1H3/b12-11+.
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine?
1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine has a molecular weight of 195.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine is sourced from PubChem (CID 60856218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).