1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine

C14H28N10 — CID 177268244

IUPAC1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N=C(N)N)NCCC1C=CC(CCN/C(N)=N/C(N)=N/[H])CC1
InChIInChI=1S/C14H28N10/c15-11(16)23-13(19)21-7-5-9-1-2-10(4-3-9)6-8-22-14(20)24-12(17)18/h1-2,9-10H,3-8H2,(H6,15,16,19,21,23)(H6,17,18,20,22,24)
InChIKeyFXHKKWOKNCYKHA-UHFFFAOYSA-N
MW336.45 g/mol
LogP-1.06
Rot. Bonds6

About 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine

1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine (PubChem CID 177268244) has the molecular formula C14H28N10 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine
PubChem CID177268244
Molecular FormulaC14H28N10
Molecular Weight336.45 g/mol
Exact Mass336.25
IUPAC Name1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N=C(N)N)NCCC1C=CC(CCN/C(N)=N/C(N)=N/[H])CC1
InChIInChI=1S/C14H28N10/c15-11(16)23-13(19)21-7-5-9-1-2-10(4-3-9)6-8-22-14(20)24-12(17)18/h1-2,9-10H,3-8H2,(H6,15,16,19,21,23)(H6,17,18,20,22,24)
InChIKeyFXHKKWOKNCYKHA-UHFFFAOYSA-N
XLogP-1.06
TPSA200.56 Ų
H-Bond Donors8
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 5-1.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4S,6R)-4-[2-[(N'-carbamimidoylcarbamimidoyl)-methylamino]ethyl]-6-methylcyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)-1-methylguanidine
CID 176533085
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
[Amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloct-6-enyl)azanium chloride
CID 10947845
1-[2-(Cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
CID 10947846
[Amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride
CID 11727624
1-[2-(Cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine
CID 11727625
1-(2-Cyclohexylethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine
CID 109771437
1-[2-(Cyclohexen-1-yl)ethyl]-2-(3-methylbutyl)guanidine
CID 111025058
1-(Cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine
CID 119116302
1-(Cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide
CID 119120126
1-(Cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine
CID 119120127
1-(Cyclohex-3-en-1-ylmethyl)-2-(2-methylprop-2-enyl)guanidine
CID 119120131

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine?
The IUPAC name of 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine (CID 177268244) is 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine.
What is the SMILES notation for 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine?
The canonical SMILES for 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine is [H]/N=C(\N=C(N)N)NCCC1C=CC(CCN/C(N)=N/C(N)=N/[H])CC1.
What is the InChIKey of 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine?
The InChIKey is FXHKKWOKNCYKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N10/c15-11(16)23-13(19)21-7-5-9-1-2-10(4-3-9)6-8-22-14(20)24-12(17)18/h1-2,9-10H,3-8H2,(H6,15,16,19,21,23)(H6,17,18,20,22,24).
What are the key properties of 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine?
1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine has a molecular weight of 336.45 g/mol, XLogP of -1.06, 6 rotatable bonds, 8 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine is sourced from PubChem (CID 177268244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).