(Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine

C12H21N3 — CID 177054140

IUPAC(Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(CN1CCC(CCC)C1)=N/[H]
InChIInChI=1S/C12H21N3/c1-2-4-11-6-8-15(9-11)10-12(14)5-3-7-13/h3,5,7,11,13-14H,2,4,6,8-10H2,1H3/b5-3-,13-7+,14-12+
InChIKeyRVEAMCIYKLMOJJ-LMUFKFMZSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds6

About (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine

(Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine (PubChem CID 177054140) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine
PubChem CID177054140
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(CN1CCC(CCC)C1)=N/[H]
InChIInChI=1S/C12H21N3/c1-2-4-11-6-8-15(9-11)10-12(14)5-3-7-13/h3,5,7,11,13-14H,2,4,6,8-10H2,1H3/b5-3-,13-7+,14-12+
InChIKeyRVEAMCIYKLMOJJ-LMUFKFMZSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-ethyl-3-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridin-1-ium
CID 68038619
(3S)-1-methyl-3-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridin-1-ium
CID 68038620
(3S)-1-ethyl-3-(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)-2,3-dihydropyridin-1-ium
CID 68038621
(3S)-3-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridine
CID 68038625
(3S)-3-(1,1-dimethylpyrrolidin-1-ium-2-yl)-1-methyl-2,3-dihydropyridin-1-ium
CID 68038628
(3S)-1-ethyl-3-[(1S)-1-ethyl-1-methylpyrrolidin-1-ium-2-yl]-2,3-dihydropyridin-1-ium
CID 68222420
3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89069785
4-(3-Methylpyrrolidin-1-yl)cyclohex-2-en-1-imine
CID 123784648
(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine
CID 146568242
N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanimine
CID 169907236
(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine
CID 170131383
(E)-3-(1-propan-2-ylpyrrolidin-3-yl)but-2-en-1-imine
CID 170635455

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine?
The IUPAC name of (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine (CID 177054140) is (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine?
The canonical SMILES for (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine is [H]/N=C/C=C\C(CN1CCC(CCC)C1)=N/[H].
What is the InChIKey of (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine?
The InChIKey is RVEAMCIYKLMOJJ-LMUFKFMZSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-4-11-6-8-15(9-11)10-12(14)5-3-7-13/h3,5,7,11,13-14H,2,4,6,8-10H2,1H3/b5-3-,13-7+,14-12+.
What are the key properties of (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine?
(Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine has a molecular weight of 207.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine is sourced from PubChem (CID 177054140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).