1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine

C10H21N5 — CID 18769868

IUPAC1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)C1CCCCC1
InChIInChI=1S/C10H21N5/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H5,11,12,13,14)
InChIKeyXNKLHHXJKIUNIJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.85
Rot. Bonds2

About 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine

1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine (PubChem CID 18769868) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
PubChem CID18769868
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)C1CCCCC1
InChIInChI=1S/C10H21N5/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H5,11,12,13,14)
InChIKeyXNKLHHXJKIUNIJ-UHFFFAOYSA-N
XLogP0.85
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.85
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

1,1-Dipentylbiguanide
CID 176528677
Biguanide, 1,1-dipentyl-
CID 58403
Cyclohexyl-tetraethylguanidine
CID 11807199
N-dicyclohexylguanidin
CID 17839590
Guanidine, N-(1-cyclohexyl-3-azetidinyl)-N-methyl-
CID 24838554
2-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064154
2-Cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362522
2-Cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362739
2-Cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 64246463
n-(4,4-Difluorocyclohexyl)-n,n'-dimethylguanidine
CID 164657652
1-Carbamimidoyl-1,2-dihexylguanidine
CID 10171549
1-Cyclohexyl-4,5-dihydroimidazol-2-amine
CID 13155026

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine?
The IUPAC name of 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine (CID 18769868) is 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine?
The canonical SMILES for 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine is [H]/N=C(\N=C(N)N)N(CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine?
The InChIKey is XNKLHHXJKIUNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H5,11,12,13,14).
What are the key properties of 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine?
1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine has a molecular weight of 211.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine is sourced from PubChem (CID 18769868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).