4-(iminomethylideneamino)cyclohexane-1,1-diamine

C7H14N4 — CID 176812578

IUPAC4-(iminomethylideneamino)cyclohexane-1,1-diamine
SMILESN=C=NC1CCC(N)(N)CC1
InChIInChI=1S/C7H14N4/c8-5-11-6-1-3-7(9,10)4-2-6/h6,8H,1-4,9-10H2
InChIKeyVDPTVCPDNPNOIF-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.30
Rot. Bonds1

About 4-(iminomethylideneamino)cyclohexane-1,1-diamine

4-(iminomethylideneamino)cyclohexane-1,1-diamine (PubChem CID 176812578) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-(iminomethylideneamino)cyclohexane-1,1-diamine.

Molecular Properties

Compound Name4-(iminomethylideneamino)cyclohexane-1,1-diamine
PubChem CID176812578
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-(iminomethylideneamino)cyclohexane-1,1-diamine
SMILESN=C=NC1CCC(N)(N)CC1
InChIInChI=1S/C7H14N4/c8-5-11-6-1-3-7(9,10)4-2-6/h6,8H,1-4,9-10H2
InChIKeyVDPTVCPDNPNOIF-UHFFFAOYSA-N
XLogP0.30
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4,4-dimethylcyclohexyl)methanediimine
CID 135563810
N'-cycloundecylmethanediimine
CID 166908646
6-isocyanatospiro[2.5]octane
CID 82417305
cyclopropane-1,1-diamine;hydrochloride
CID 141361875
1,1-difluoro-4-isocyanatocyclohexane
CID 59496539
4-isocyanato-1-methylcyclohexane-1-carbaldehyde
CID 22924852
4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine
CID 140875897
N'-tert-butyl-N-cyclopentylmethanediimine
CID 44613172
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
(4,4-diaminocyclohexyl) acetate
CID 174708289
1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;isocyanic acid
CID 87209238
1,1-dibutyl-4-isocyanatocyclohexane
CID 139909281

Frequently Asked Questions

What is the IUPAC name of 4-(iminomethylideneamino)cyclohexane-1,1-diamine?
The IUPAC name of 4-(iminomethylideneamino)cyclohexane-1,1-diamine (CID 176812578) is 4-(iminomethylideneamino)cyclohexane-1,1-diamine.
What is the SMILES notation for 4-(iminomethylideneamino)cyclohexane-1,1-diamine?
The canonical SMILES for 4-(iminomethylideneamino)cyclohexane-1,1-diamine is N=C=NC1CCC(N)(N)CC1.
What is the InChIKey of 4-(iminomethylideneamino)cyclohexane-1,1-diamine?
The InChIKey is VDPTVCPDNPNOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c8-5-11-6-1-3-7(9,10)4-2-6/h6,8H,1-4,9-10H2.
What are the key properties of 4-(iminomethylideneamino)cyclohexane-1,1-diamine?
4-(iminomethylideneamino)cyclohexane-1,1-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iminomethylideneamino)cyclohexane-1,1-diamine is sourced from PubChem (CID 176812578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).