2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine

C13H25N3 — CID 11528677

IUPAC2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
SMILESC=CCN(CC=C)/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C13H25N3/c1-7-9-16(10-8-2)13(14-11(3)4)15-12(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3,(H,14,15)
InChIKeyIBHQZBGDPHFUIP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.42
Rot. Bonds6

About 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine

2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine (PubChem CID 11528677) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
PubChem CID11528677
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
SMILESC=CCN(CC=C)/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C13H25N3/c1-7-9-16(10-8-2)13(14-11(3)4)15-12(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3,(H,14,15)
InChIKeyIBHQZBGDPHFUIP-UHFFFAOYSA-N
XLogP2.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.42
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine
CID 134989535
2-(diethylamino)-6-(prop-2-enylamino)-1H-1,3,5-triazine-4-thione
CID 17841721
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
1,3-Ditert-butyl-2-prop-2-enylguanidine
CID 59816771
N-[1-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69731760
[N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium
CID 87204776
[[Bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium
CID 87204778
1,2,3-Tris(prop-2-enyl)guanidine
CID 88197214
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine?
The IUPAC name of 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine (CID 11528677) is 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine.
What is the SMILES notation for 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine?
The canonical SMILES for 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine is C=CCN(CC=C)/C(=N\C(C)C)NC(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine?
The InChIKey is IBHQZBGDPHFUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7-9-16(10-8-2)13(14-11(3)4)15-12(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3,(H,14,15).
What are the key properties of 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine?
2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine has a molecular weight of 223.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine is sourced from PubChem (CID 11528677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).