1,2-dimethyl-3-(2-methylidenebutyl)guanidine

C8H17N3 — CID 130729853

IUPAC1,2-dimethyl-3-(2-methylidenebutyl)guanidine
SMILESC=C(CC)CN/C(=N/C)NC
InChIInChI=1S/C8H17N3/c1-5-7(2)6-11-8(9-3)10-4/h2,5-6H2,1,3-4H3,(H2,9,10,11)
InChIKeyQHIVHKKPQLEJNO-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.75
Rot. Bonds3

About 1,2-dimethyl-3-(2-methylidenebutyl)guanidine

1,2-dimethyl-3-(2-methylidenebutyl)guanidine (PubChem CID 130729853) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylidenebutyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylidenebutyl)guanidine
PubChem CID130729853
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1,2-dimethyl-3-(2-methylidenebutyl)guanidine
SMILESC=C(CC)CN/C(=N/C)NC
InChIInChI=1S/C8H17N3/c1-5-7(2)6-11-8(9-3)10-4/h2,5-6H2,1,3-4H3,(H2,9,10,11)
InChIKeyQHIVHKKPQLEJNO-UHFFFAOYSA-N
XLogP0.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-3-(2-methylidenebutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1,1,2-Tris(3-methylbut-3-enyl)guanidine
CID 163189609
N,N'-diisopentenylguanidine
CID 91369226
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 91169175
2-Methyl-1-(2-methylidenebutyl)guanidine
CID 130672906
2-Methyl-1-(3-methylbut-3-enyl)guanidine
CID 130948714
6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 137154658
1,2-Dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
CID 142877495
1-Cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
CID 155719816

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylidenebutyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(2-methylidenebutyl)guanidine (CID 130729853) is 1,2-dimethyl-3-(2-methylidenebutyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylidenebutyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(2-methylidenebutyl)guanidine is C=C(CC)CN/C(=N/C)NC.
What is the InChIKey of 1,2-dimethyl-3-(2-methylidenebutyl)guanidine?
The InChIKey is QHIVHKKPQLEJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-7(2)6-11-8(9-3)10-4/h2,5-6H2,1,3-4H3,(H2,9,10,11).
What are the key properties of 1,2-dimethyl-3-(2-methylidenebutyl)guanidine?
1,2-dimethyl-3-(2-methylidenebutyl)guanidine has a molecular weight of 155.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylidenebutyl)guanidine is sourced from PubChem (CID 130729853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).