1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine

C11H23N5 — CID 83032402

IUPAC1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
SMILESCCC1CCC(C/N=C(\N)N=C(N)N)CC1
InChIInChI=1S/C11H23N5/c1-2-8-3-5-9(6-4-8)7-15-11(14)16-10(12)13/h8-9H,2-7H2,1H3,(H6,12,13,14,15,16)
InChIKeyFEDFVPREICWCSH-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.79
Rot. Bonds3

About 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine

1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine (PubChem CID 83032402) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
PubChem CID83032402
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
SMILESCCC1CCC(C/N=C(\N)N=C(N)N)CC1
InChIInChI=1S/C11H23N5/c1-2-8-3-5-9(6-4-8)7-15-11(14)16-10(12)13/h8-9H,2-7H2,1H3,(H6,12,13,14,15,16)
InChIKeyFEDFVPREICWCSH-UHFFFAOYSA-N
XLogP0.79
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 140599397
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018
1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine
CID 130816153
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111076575
ethanamine;ethylcyclopropane
CID 70018487
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
methyl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate
CID 20682493
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 154494478
methyl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate;hydrochloride
CID 175944864

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine (CID 83032402) is 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine is CCC1CCC(C/N=C(\N)N=C(N)N)CC1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine?
The InChIKey is FEDFVPREICWCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-2-8-3-5-9(6-4-8)7-15-11(14)16-10(12)13/h8-9H,2-7H2,1H3,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine?
1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 83032402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).