1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine

C11H24N6 — CID 176524139

IUPAC1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)NCCCCN/C(N)=N/CC=C(C)C
InChIInChI=1S/C11H24N6/c1-9(2)5-8-17-11(14)16-7-4-3-6-15-10(12)13/h5H,3-4,6-8H2,1-2H3,(H4,12,13,15)(H3,14,16,17)
InChIKeyCQWDNBZZMTWKGD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.12
Rot. Bonds7

About 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine

1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine (PubChem CID 176524139) has the molecular formula C11H24N6 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
PubChem CID176524139
Molecular FormulaC11H24N6
Molecular Weight240.35 g/mol
Exact Mass240.21
IUPAC Name1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)NCCCCN/C(N)=N/CC=C(C)C
InChIInChI=1S/C11H24N6/c1-9(2)5-8-17-11(14)16-7-4-3-6-15-10(12)13/h5H,3-4,6-8H2,1-2H3,(H4,12,13,15)(H3,14,16,17)
InChIKeyCQWDNBZZMTWKGD-UHFFFAOYSA-N
XLogP0.12
TPSA112.31 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(6-Aminohexyl)-3-(3-methylbut-2-enyl)guanidine
CID 9949085
1-(5-Aminopentyl)-3-(3-methylbut-2-enyl)guanidine
CID 9990774
Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
Pterogynidine
CID 10035557
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
N,N'''-butane-1,4-diylbis[3-(3-methylbut-2-en-1-yl)guanidine]
CID 45266946
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
N-(4-Aminobutyl)-N-(3-methyl-2-buten-1-yl)guanidine
CID 117689
N-prenylagmatine
CID 25203666
2-[4-(3-Methylbut-2-enylamino)butyl]guanidine
CID 12442927

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine (CID 176524139) is 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine is [H]/N=C(\N)NCCCCN/C(N)=N/CC=C(C)C.
What is the InChIKey of 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine?
The InChIKey is CQWDNBZZMTWKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N6/c1-9(2)5-8-17-11(14)16-7-4-3-6-15-10(12)13/h5H,3-4,6-8H2,1-2H3,(H4,12,13,15)(H3,14,16,17).
What are the key properties of 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine?
1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine has a molecular weight of 240.35 g/mol, XLogP of 0.12, 7 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 176524139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).