N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine

C21H28N2 — CID 123382168

IUPACN-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(NCC2=CC=C(C/N=C3\C=CCCC3)CC2)C=CC=CC1
InChIInChI=1S/C21H28N2/c1-21(14-6-3-7-15-21)23-17-19-12-10-18(11-13-19)16-22-20-8-4-2-5-9-20/h3-4,6-8,10,12,14,23H,2,5,9,11,13,15-17H2,1H3/b22-20+
InChIKeySXLRMAPEWQNUDA-LSDHQDQOSA-N
MW308.47 g/mol
LogP4.68
Rot. Bonds5

About N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine

N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 123382168) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID123382168
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(NCC2=CC=C(C/N=C3\C=CCCC3)CC2)C=CC=CC1
InChIInChI=1S/C21H28N2/c1-21(14-6-3-7-15-21)23-17-19-12-10-18(11-13-19)16-22-20-8-4-2-5-9-20/h3-4,6-8,10,12,14,23H,2,5,9,11,13,15-17H2,1H3/b22-20+
InChIKeySXLRMAPEWQNUDA-LSDHQDQOSA-N
XLogP4.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine 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

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2-(4-Methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline
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1,2,4a,8,9,10b-Hexahydro-1,10-phenanthroline
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N'-[4-[(6-cyclohexa-1,5-dien-1-ylimino-4-imino-3-methylcyclohex-2-en-1-ylidene)amino]-6-methylcyclohexa-2,4-dien-1-yl]hexane-1,6-diamine
CID 123314455
(Z)-N-methyl-1-[5-methyl-6-[(Z)-5-(1,2,3,6-tetrahydropyridin-5-yl)pent-4-enyl]cyclohexa-1,5-dien-1-yl]but-2-en-1-imine
CID 139353322
but-3-en-1-amine;(E)-N,N-dimethylpent-2-en-1-amine;ethane;2,3,5,6,7,8-hexahydroquinoline;pentane;2,3,4,7-tetrahydro-1H-cyclohepta[c]pyridine
CID 142416991
3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine
CID 143397821
(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine
CID 143998352
(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine
CID 145012016
(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane
CID 145197782
(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene
CID 145198925
N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
CID 150809900

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine (CID 123382168) is N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine is CC1(NCC2=CC=C(C/N=C3\C=CCCC3)CC2)C=CC=CC1.
What is the InChIKey of N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is SXLRMAPEWQNUDA-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H28N2/c1-21(14-6-3-7-15-21)23-17-19-12-10-18(11-13-19)16-22-20-8-4-2-5-9-20/h3-4,6-8,10,12,14,23H,2,5,9,11,13,15-17H2,1H3/b22-20+.
What are the key properties of N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine?
N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 308.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123382168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).