N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine

C13H20N2 — CID 123481717

IUPACN-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
SMILESC/N=C1/C=CC(CN2CC=C(C)C2)CC1
InChIInChI=1S/C13H20N2/c1-11-7-8-15(9-11)10-12-3-5-13(14-2)6-4-12/h3,5,7,12H,4,6,8-10H2,1-2H3/b14-13-
InChIKeyZZGFQRDMQLHSMS-YPKPFQOOSA-N
MW204.32 g/mol
LogP2.29
Rot. Bonds2

About N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine

N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine (PubChem CID 123481717) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
PubChem CID123481717
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
SMILESC/N=C1/C=CC(CN2CC=C(C)C2)CC1
InChIInChI=1S/C13H20N2/c1-11-7-8-15(9-11)10-12-3-5-13(14-2)6-4-12/h3,5,7,12H,4,6,8-10H2,1-2H3/b14-13-
InChIKeyZZGFQRDMQLHSMS-YPKPFQOOSA-N
XLogP2.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
CID 90658037
(NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 14330046
N,N-dipropyl-4,5,6,7-tetrahydro-2H-indol-5-amine
CID 23463958
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630704
N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine
CID 121442676
4-(3-Methylpyrrolidin-1-yl)cyclohex-2-en-1-imine
CID 123784648
3-(3-methylbutyl)-5-prop-1-en-2-yl-2H-pyrrole
CID 130240016
(3E)-2-ethyl-3-ethylidene-N-methyl-N-propyl-4H-pyridin-4-amine
CID 132195135
Ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium
CID 142290217
5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine
CID 142941032
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine?
The IUPAC name of N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine (CID 123481717) is N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine.
What is the SMILES notation for N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine?
The canonical SMILES for N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine is C/N=C1/C=CC(CN2CC=C(C)C2)CC1.
What is the InChIKey of N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine?
The InChIKey is ZZGFQRDMQLHSMS-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-7-8-15(9-11)10-12-3-5-13(14-2)6-4-12/h3,5,7,12H,4,6,8-10H2,1-2H3/b14-13-.
What are the key properties of N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine?
N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine has a molecular weight of 204.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine is sourced from PubChem (CID 123481717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).