1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine

C9H20N4 — CID 24879372

IUPAC1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NCCCN
InChIInChI=1S/C9H20N4/c1-8(2)4-7-13-9(11)12-6-3-5-10/h4H,3,5-7,10H2,1-2H3,(H3,11,12,13)
InChIKeyYJOYGEWTYLDWKY-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.21
Rot. Bonds5

About 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine

1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine (PubChem CID 24879372) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine
PubChem CID24879372
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NCCCN
InChIInChI=1S/C9H20N4/c1-8(2)4-7-13-9(11)12-6-3-5-10/h4H,3,5-7,10H2,1-2H3,(H3,11,12,13)
InChIKeyYJOYGEWTYLDWKY-UHFFFAOYSA-N
XLogP0.21
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.21
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-(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
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-prenylagmatine
CID 25203666
2-[4-(3-Methylbut-2-enylamino)butyl]guanidine
CID 12442927
1-(4-Carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
CID 176524139
1-(7-Aminoheptyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879444

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine (CID 24879372) is 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine is CC(C)=CC/N=C(\N)NCCCN.
What is the InChIKey of 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine?
The InChIKey is YJOYGEWTYLDWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-8(2)4-7-13-9(11)12-6-3-5-10/h4H,3,5-7,10H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine?
1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 24879372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).