1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine

C13H28N4 — CID 24879444

IUPAC1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NCCCCCCCN
InChIInChI=1S/C13H28N4/c1-12(2)8-11-17-13(15)16-10-7-5-3-4-6-9-14/h8H,3-7,9-11,14H2,1-2H3,(H3,15,16,17)
InChIKeyGKQATWDVXXXSOL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.77
Rot. Bonds9

About 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine

1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine (PubChem CID 24879444) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine
PubChem CID24879444
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NCCCCCCCN
InChIInChI=1S/C13H28N4/c1-12(2)8-11-17-13(15)16-10-7-5-3-4-6-9-14/h8H,3-7,9-11,14H2,1-2H3,(H3,15,16,17)
InChIKeyGKQATWDVXXXSOL-UHFFFAOYSA-N
XLogP1.77
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
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-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine;bis(2,2,2-trifluoroacetic acid)
CID 24879369
(E)-3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]prop-2-enamide
CID 6443666
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780689
N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476636
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
S-[2-(6-aminohexylamino)-2-oxoethyl] ethanethioate
CID 86603506
N-(18-amino-7-hydroxyoctadecyl)acetamide
CID 175547048
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475681

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine (CID 24879444) is 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine is CC(C)=CC/N=C(\N)NCCCCCCCN.
What is the InChIKey of 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine?
The InChIKey is GKQATWDVXXXSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-12(2)8-11-17-13(15)16-10-7-5-3-4-6-9-14/h8H,3-7,9-11,14H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine?
1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 24879444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).