N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine

C27H40N4 — CID 142271242

IUPACN'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine
SMILESC=C(NCC1(c2ccccc2)CCC(/N=C/N)CC1)c1ccccc1CC.CCNC
InChIInChI=1S/C24H31N3.C3H9N/c1-3-20-9-7-8-12-23(20)19(2)26-17-24(21-10-5-4-6-11-21)15-13-22(14-16-24)27-18-25;1-3-4-2/h4-12,18,22,26H,2-3,13-17H2,1H3,(H2,25,27);4H,3H2,1-2H3
InChIKeyDWHWNSRQMFQEQE-UHFFFAOYSA-N
MW420.65 g/mol
LogP4.90
Rot. Bonds8

About N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine

N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine (PubChem CID 142271242) has the molecular formula C27H40N4 and a molecular weight of 420.65 g/mol. Its IUPAC name is N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine.

Molecular Properties

Compound NameN'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine
PubChem CID142271242
Molecular FormulaC27H40N4
Molecular Weight420.65 g/mol
Exact Mass420.33
IUPAC NameN'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine
SMILESC=C(NCC1(c2ccccc2)CCC(/N=C/N)CC1)c1ccccc1CC.CCNC
InChIInChI=1S/C24H31N3.C3H9N/c1-3-20-9-7-8-12-23(20)19(2)26-17-24(21-10-5-4-6-11-21)15-13-22(14-16-24)27-18-25;1-3-4-2/h4-12,18,22,26H,2-3,13-17H2,1H3,(H2,25,27);4H,3H2,1-2H3
InChIKeyDWHWNSRQMFQEQE-UHFFFAOYSA-N
XLogP4.90
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.65
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine
CID 142271338
N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene
CID 142271459
[4-[[1-(2-methylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl] N-(3-hydroxypropyl)carbamate
CID 89204009
N-[[4-[[(cyanoamino)-(cyclopropylamino)methylidene]amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842452
acetylene;ethane;2-ethyl-N-[(1-phenylcyclohexyl)methyl]benzamide;phenyl N'-cyanocarbamimidate
CID 142271377
2-amino-N-[[4-[(N-cyano-N'-methylcarbamimidoyl)amino]-1-phenylcyclohexyl]methyl]-3-(iodomethyl)benzamide
CID 89353808
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[[4-[1-amino-1-(2H-azirin-3-ylimino)but-3-en-2-yl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
CID 142271448
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856002
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
N-[[4-[[(cyanoamino)-(pyrrolidin-1-ylamino)methylidene]amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 87449100

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine?
The IUPAC name of N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine (CID 142271242) is N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine.
What is the SMILES notation for N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine?
The canonical SMILES for N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine is C=C(NCC1(c2ccccc2)CCC(/N=C/N)CC1)c1ccccc1CC.CCNC.
What is the InChIKey of N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine?
The InChIKey is DWHWNSRQMFQEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3.C3H9N/c1-3-20-9-7-8-12-23(20)19(2)26-17-24(21-10-5-4-6-11-21)15-13-22(14-16-24)27-18-25;1-3-4-2/h4-12,18,22,26H,2-3,13-17H2,1H3,(H2,25,27);4H,3H2,1-2H3.
What are the key properties of N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine?
N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine has a molecular weight of 420.65 g/mol, XLogP of 4.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine is sourced from PubChem (CID 142271242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).