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

C14H30N4 — CID 87780689

IUPAC2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CCN(C)/C(N)=N/CCCCCCCN
InChIInChI=1S/C14H30N4/c1-13(2)9-12-18(3)14(16)17-11-8-6-4-5-7-10-15/h9H,4-8,10-12,15H2,1-3H3,(H2,16,17)
InChIKeyLJRJZNCKYVDNKV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.11
Rot. Bonds9

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

2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine (PubChem CID 87780689) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine
PubChem CID87780689
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CCN(C)/C(N)=N/CCCCCCCN
InChIInChI=1S/C14H30N4/c1-13(2)9-12-18(3)14(16)17-11-8-6-4-5-7-10-15/h9H,4-8,10-12,15H2,1-3H3,(H2,16,17)
InChIKeyLJRJZNCKYVDNKV-UHFFFAOYSA-N
XLogP2.11
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
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

2-(4-aminobutyl)-1,1-dibromoguanidine
CID 91493816
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
1-(7-aminoheptyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879444
2-(4-aminobutyl)guanidine
CID 22560045
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
2-[(N'-dodecylcarbamimidoyl)-methylamino]acetic acid
CID 87453757
1-methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780057
hexane-1,6-diamine;methanamine
CID 174275715
1-(3-aminopropyl)-1,2-dimethylguanidine
CID 141013160
6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
CID 144969972
tert-butyl N'-(4-aminobutyl)carbamimidate
CID 142246311
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine (CID 87780689) is 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine is CC(C)=CCN(C)/C(N)=N/CCCCCCCN.
What is the InChIKey of 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine?
The InChIKey is LJRJZNCKYVDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-13(2)9-12-18(3)14(16)17-11-8-6-4-5-7-10-15/h9H,4-8,10-12,15H2,1-3H3,(H2,16,17).
What are the key properties of 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine?
2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoheptyl)-1-methyl-1-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 87780689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).