1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine

C13H23N3 — CID 123525691

IUPAC1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine
SMILESCC(C)=C/N=C(\N=CC(C)C)NC=C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h7-10H,1-6H3,(H,15,16)
InChIKeyVHTHPHKOBMHBNP-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.51
Rot. Bonds3

About 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine

1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine (PubChem CID 123525691) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine.

Molecular Properties

Compound Name1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine
PubChem CID123525691
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine
SMILESCC(C)=C/N=C(\N=CC(C)C)NC=C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h7-10H,1-6H3,(H,15,16)
InChIKeyVHTHPHKOBMHBNP-UHFFFAOYSA-N
XLogP3.51
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(prop-1-enyl)-3-propylideneguanidine
CID 123603688
(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine
CID 143718084
ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide
CID 144649640
2-methyl-N-(5-methyl-1,4-dihydropyrimidin-6-yl)propan-1-imine
CID 173827102

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine?
The IUPAC name of 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine (CID 123525691) is 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine.
What is the SMILES notation for 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine?
The canonical SMILES for 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine is CC(C)=C/N=C(\N=CC(C)C)NC=C(C)C.
What is the InChIKey of 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine?
The InChIKey is VHTHPHKOBMHBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h7-10H,1-6H3,(H,15,16).
What are the key properties of 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine?
1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine has a molecular weight of 221.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine is sourced from PubChem (CID 123525691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).