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

C11H21N3 — CID 45268797

IUPAC1,1-bis(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)N(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C11H21N3/c1-9(2)5-7-14(11(12)13)8-6-10(3)4/h5-6H,7-8H2,1-4H3,(H3,12,13)
InChIKeyLNZWTNFGEROXJJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds4

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

1,1-bis(3-methylbut-2-enyl)guanidine (PubChem CID 45268797) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,1-bis(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1,1-bis(3-methylbut-2-enyl)guanidine
PubChem CID45268797
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,1-bis(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)N(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C11H21N3/c1-9(2)5-7-14(11(12)13)8-6-10(3)4/h5-6H,7-8H2,1-4H3,(H3,12,13)
InChIKeyLNZWTNFGEROXJJ-UHFFFAOYSA-N
XLogP2.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1,1-bis(3-methylbut-2-enyl)guanidine (CID 45268797) is 1,1-bis(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1,1-bis(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1,1-bis(3-methylbut-2-enyl)guanidine is [H]/N=C(\N)N(CC=C(C)C)CC=C(C)C.
What is the InChIKey of 1,1-bis(3-methylbut-2-enyl)guanidine?
The InChIKey is LNZWTNFGEROXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-7-14(11(12)13)8-6-10(3)4/h5-6H,7-8H2,1-4H3,(H3,12,13).
What are the key properties of 1,1-bis(3-methylbut-2-enyl)guanidine?
1,1-bis(3-methylbut-2-enyl)guanidine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 45268797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).