N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine

C12H20N4 — CID 176537644

IUPACN-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine
SMILESC=C=C(NC1CCCCC1)C(/C=N/C)=NN
InChIInChI=1S/C12H20N4/c1-3-11(12(16-13)9-14-2)15-10-7-5-4-6-8-10/h9-10,15H,1,4-8,13H2,2H3/b14-9+,16-12?
InChIKeyUNMFFIOFEICVBM-KBRPQARSSA-N
MW220.32 g/mol
LogP1.59
Rot. Bonds4

About N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine

N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine (PubChem CID 176537644) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine
PubChem CID176537644
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine
SMILESC=C=C(NC1CCCCC1)C(/C=N/C)=NN
InChIInChI=1S/C12H20N4/c1-3-11(12(16-13)9-14-2)15-10-7-5-4-6-8-10/h9-10,15H,1,4-8,13H2,2H3/b14-9+,16-12?
InChIKeyUNMFFIOFEICVBM-KBRPQARSSA-N
XLogP1.59
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-buta-2,3-dien-2-ylcyclohexanamine
CID 176535461
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
CID 143490405
cyclohexylurea;methanamine
CID 142108304
[3-(cyclohexylamino)-3-oxopropyl] N'-aminocarbamimidothioate
CID 77060099
(2Z,4E)-5-chloro-3-N-cyclohexyl-5-(methylideneamino)penta-2,4-diene-2,3-diamine
CID 134251209
1-cyclohexyl-2-ethylguanidine
CID 18727697
N'-[1-(cyclopentylamino)ethenyl]ethanimidamide
CID 163607178
N-cyclodecylprop-2-enamide
CID 18400354
S-methyl N-cyclohexylcarbamothioate
CID 3710575
cycloheptylthiourea
CID 13433274
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963

Frequently Asked Questions

What is the IUPAC name of N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine?
The IUPAC name of N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine (CID 176537644) is N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine.
What is the SMILES notation for N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine?
The canonical SMILES for N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine is C=C=C(NC1CCCCC1)C(/C=N/C)=NN.
What is the InChIKey of N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine?
The InChIKey is UNMFFIOFEICVBM-KBRPQARSSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-11(12(16-13)9-14-2)15-10-7-5-4-6-8-10/h9-10,15H,1,4-8,13H2,2H3/b14-9+,16-12?.
What are the key properties of N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine?
N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine has a molecular weight of 220.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydrazinylidene-5-methyliminopenta-1,2-dien-3-yl)cyclohexanamine is sourced from PubChem (CID 176537644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).