1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine

C16H32N6 — CID 10001289

IUPAC1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)N(CC=C(C)C)CCCCN(CC=C(C)C)/C(N)=N/[H]
InChIInChI=1S/C16H32N6/c1-13(2)7-11-21(15(17)18)9-5-6-10-22(16(19)20)12-8-14(3)4/h7-8H,5-6,9-12H2,1-4H3,(H3,17,18)(H3,19,20)
InChIKeyHDBSMWILBWFSCR-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.09
Rot. Bonds9

About 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine

1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine (PubChem CID 10001289) has the molecular formula C16H32N6 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine
PubChem CID10001289
Molecular FormulaC16H32N6
Molecular Weight308.47 g/mol
Exact Mass308.27
IUPAC Name1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)N(CC=C(C)C)CCCCN(CC=C(C)C)/C(N)=N/[H]
InChIInChI=1S/C16H32N6/c1-13(2)7-11-21(15(17)18)9-5-6-10-22(16(19)20)12-8-14(3)4/h7-8H,5-6,9-12H2,1-4H3,(H3,17,18)(H3,19,20)
InChIKeyHDBSMWILBWFSCR-UHFFFAOYSA-N
XLogP2.09
TPSA106.22 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.09
H-Bond Donors ≤ 54
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

Pterogynine
CID 45268797
N-(4-Aminobutyl)-N-(3-methyl-2-buten-1-yl)guanidine
CID 117689
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878519
1-[5-[Carbamimidoyl(3-methylbut-2-enyl)amino]-2-methylpentan-2-yl]-1-(3-methylbut-2-enyl)guanidine
CID 87779990

Frequently Asked Questions

What is the IUPAC name of 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine (CID 10001289) is 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine is [H]/N=C(\N)N(CC=C(C)C)CCCCN(CC=C(C)C)/C(N)=N/[H].
What is the InChIKey of 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine?
The InChIKey is HDBSMWILBWFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6/c1-13(2)7-11-21(15(17)18)9-5-6-10-22(16(19)20)12-8-14(3)4/h7-8H,5-6,9-12H2,1-4H3,(H3,17,18)(H3,19,20).
What are the key properties of 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine?
1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine has a molecular weight of 308.47 g/mol, XLogP of 2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-1-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 10001289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).