4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine

C11H18N2 — CID 123784648

IUPAC4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(N2CCC(C)C2)CC1
InChIInChI=1S/C11H18N2/c1-9-6-7-13(8-9)11-4-2-10(12)3-5-11/h2,4,9,11-12H,3,5-8H2,1H3/b12-10-
InChIKeyCNSYXTNZCHKJLS-BENRWUELSA-N
MW178.28 g/mol
LogP2.07
Rot. Bonds1

About 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine

4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine (PubChem CID 123784648) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine
PubChem CID123784648
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(N2CCC(C)C2)CC1
InChIInChI=1S/C11H18N2/c1-9-6-7-13(8-9)11-4-2-10(12)3-5-11/h2,4,9,11-12H,3,5-8H2,1H3/b12-10-
InChIKeyCNSYXTNZCHKJLS-BENRWUELSA-N
XLogP2.07
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.07
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

3,6-Dihydronicotine
CID 90658036
5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
CID 90658037
1-(2-Butyl-4-diazocyclohexa-2,5-dien-1-yl)pyrrolidine
CID 19931587
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
CID 123481717
2-Propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine
CID 138701621
(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine
CID 146568242
1-(1-Methylpiperidin-2-yl)hex-1-en-3-imine
CID 174609931
(Z)-5-(3-propylpyrrolidin-1-yl)pent-2-ene-1,4-diimine
CID 177054140
(Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine
CID 177350383
dimethyl-[(4S,5S)-5-methyl-4-(propylamino)cyclohex-2-en-1-ylidene]azanium
CID 101878048

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine?
The IUPAC name of 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine (CID 123784648) is 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine is [H]/N=C1/C=CC(N2CCC(C)C2)CC1.
What is the InChIKey of 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine?
The InChIKey is CNSYXTNZCHKJLS-BENRWUELSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-6-7-13(8-9)11-4-2-10(12)3-5-11/h2,4,9,11-12H,3,5-8H2,1H3/b12-10-.
What are the key properties of 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine?
4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-1-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123784648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).