N'-(4,4-dimethylcyclohexyl)methanediimine

C9H16N2 — CID 135563810

IUPACN'-(4,4-dimethylcyclohexyl)methanediimine
SMILESCC1(C)CCC(N=C=N)CC1
InChIInChI=1S/C9H16N2/c1-9(2)5-3-8(4-6-9)11-7-10/h8,10H,3-6H2,1-2H3
InChIKeyFLNNNKIURSGQSN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds1

About N'-(4,4-dimethylcyclohexyl)methanediimine

N'-(4,4-dimethylcyclohexyl)methanediimine (PubChem CID 135563810) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-(4,4-dimethylcyclohexyl)methanediimine.

Molecular Properties

Compound NameN'-(4,4-dimethylcyclohexyl)methanediimine
PubChem CID135563810
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-(4,4-dimethylcyclohexyl)methanediimine
SMILESCC1(C)CCC(N=C=N)CC1
InChIInChI=1S/C9H16N2/c1-9(2)5-3-8(4-6-9)11-7-10/h8,10H,3-6H2,1-2H3
InChIKeyFLNNNKIURSGQSN-UHFFFAOYSA-N
XLogP2.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
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

4-(iminomethylideneamino)cyclohexane-1,1-diamine
CID 176812578
N'-cycloundecylmethanediimine
CID 166908646
4-isocyanato-1-methylcyclohexane-1-carbaldehyde
CID 22924852
6-isocyanatospiro[2.5]octane
CID 82417305
(3S)-3-azido-1,1-dimethylcyclopentane
CID 54353995
2-(3,3-dimethylcyclopentyl)guanidine
CID 114541129
1,1-difluoro-4-isocyanatocyclohexane
CID 59496539
(2E)-2-ethylidene-4,4-dimethylcyclohexan-1-ol
CID 11819249
1,1-dibutyl-4-isocyanatocyclohexane
CID 139909281
isothiocyanic acid;1,1,3-trimethylcyclohexane
CID 87950193
N,N'-dicyclohexylmethanediimine;isocyanic acid
CID 87197010
(E)-3-(4,4-dimethylcyclohexyl)prop-2-enal
CID 130596296

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethylcyclohexyl)methanediimine?
The IUPAC name of N'-(4,4-dimethylcyclohexyl)methanediimine (CID 135563810) is N'-(4,4-dimethylcyclohexyl)methanediimine.
What is the SMILES notation for N'-(4,4-dimethylcyclohexyl)methanediimine?
The canonical SMILES for N'-(4,4-dimethylcyclohexyl)methanediimine is CC1(C)CCC(N=C=N)CC1.
What is the InChIKey of N'-(4,4-dimethylcyclohexyl)methanediimine?
The InChIKey is FLNNNKIURSGQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)5-3-8(4-6-9)11-7-10/h8,10H,3-6H2,1-2H3.
What are the key properties of N'-(4,4-dimethylcyclohexyl)methanediimine?
N'-(4,4-dimethylcyclohexyl)methanediimine has a molecular weight of 152.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethylcyclohexyl)methanediimine is sourced from PubChem (CID 135563810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).