N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine

C18H30N6 — CID 23154805

IUPACN-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCC1CCCC(CN=c2n(C)ccn2C)C1
InChIInChI=1S/C18H30N6/c1-21-8-9-22(2)17(21)19-13-15-6-5-7-16(12-15)14-20-18-23(3)10-11-24(18)4/h8-11,15-16H,5-7,12-14H2,1-4H3
InChIKeyPSOZHLIXVQVQIB-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.35
Rot. Bonds4

About N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine

N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine (PubChem CID 23154805) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine.

Molecular Properties

Compound NameN-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine
PubChem CID23154805
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC NameN-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCC1CCCC(CN=c2n(C)ccn2C)C1
InChIInChI=1S/C18H30N6/c1-21-8-9-22(2)17(21)19-13-15-6-5-7-16(12-15)14-20-18-23(3)10-11-24(18)4/h8-11,15-16H,5-7,12-14H2,1-4H3
InChIKeyPSOZHLIXVQVQIB-UHFFFAOYSA-N
XLogP1.35
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-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

N-[(3-propylcyclohexyl)methyl]methanimine
CID 174320248
1,3-bis[[3-(isocyanatomethyl)cyclohexyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 139574254
N,1,3-trimethylimidazol-2-imine
CID 23104077
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
trans-(1S,3S)-1,3-bis(isocyanatomethyl)cyclohexane
CID 86638774
trans-(1R,3R)-1,3-bis(isocyanatomethyl)cyclohexane
CID 87195035
cis-(1S,3R)-1,3-bis(isocyanatomethyl)cyclohexane
CID 86638773
3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine
CID 141374044
1,3-dimethyl-N-phosphanylimidazol-2-imine
CID 166858787
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
2-(3-ethylcyclohexyl)-1-methylimidazol-4-ol
CID 106952322
1-ethyl-3-propylcyclohexane
CID 22129036

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine?
The IUPAC name of N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine (CID 23154805) is N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine.
What is the SMILES notation for N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine?
The canonical SMILES for N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine is Cn1ccn(C)c1=NCC1CCCC(CN=c2n(C)ccn2C)C1.
What is the InChIKey of N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine?
The InChIKey is PSOZHLIXVQVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-21-8-9-22(2)17(21)19-13-15-6-5-7-16(12-15)14-20-18-23(3)10-11-24(18)4/h8-11,15-16H,5-7,12-14H2,1-4H3.
What are the key properties of N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine?
N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine has a molecular weight of 330.48 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(1,3-dimethylimidazol-2-ylidene)amino]methyl]cyclohexyl]methyl]-1,3-dimethylimidazol-2-imine is sourced from PubChem (CID 23154805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).