1,2-bis(3-methylbut-3-enyl)guanidine

C11H21N3 — CID 91369226

IUPAC1,2-bis(3-methylbut-3-enyl)guanidine
SMILESC=C(C)CC/N=C(\N)NCCC(=C)C
InChIInChI=1S/C11H21N3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h1,3,5-8H2,2,4H3,(H3,12,13,14)
InChIKeyRTWCHSKXNOOIOU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds6

About 1,2-bis(3-methylbut-3-enyl)guanidine

1,2-bis(3-methylbut-3-enyl)guanidine (PubChem CID 91369226) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,2-bis(3-methylbut-3-enyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3-methylbut-3-enyl)guanidine
PubChem CID91369226
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,2-bis(3-methylbut-3-enyl)guanidine
SMILESC=C(C)CC/N=C(\N)NCCC(=C)C
InChIInChI=1S/C11H21N3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h1,3,5-8H2,2,4H3,(H3,12,13,14)
InChIKeyRTWCHSKXNOOIOU-UHFFFAOYSA-N
XLogP1.82
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
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'}

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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
N-prenylagmatine
CID 25203666
1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
1,1,2-Tris(3-methylbut-3-enyl)guanidine
CID 163189609
1-(4-Carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
CID 176524139
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
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
1-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
2-Methyl-1-(2-methylidenebutyl)guanidine
CID 130672906

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methylbut-3-enyl)guanidine?
The IUPAC name of 1,2-bis(3-methylbut-3-enyl)guanidine (CID 91369226) is 1,2-bis(3-methylbut-3-enyl)guanidine.
What is the SMILES notation for 1,2-bis(3-methylbut-3-enyl)guanidine?
The canonical SMILES for 1,2-bis(3-methylbut-3-enyl)guanidine is C=C(C)CC/N=C(\N)NCCC(=C)C.
What is the InChIKey of 1,2-bis(3-methylbut-3-enyl)guanidine?
The InChIKey is RTWCHSKXNOOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h1,3,5-8H2,2,4H3,(H3,12,13,14).
What are the key properties of 1,2-bis(3-methylbut-3-enyl)guanidine?
1,2-bis(3-methylbut-3-enyl)guanidine has a molecular weight of 195.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methylbut-3-enyl)guanidine is sourced from PubChem (CID 91369226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).