2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine

C8H17N3 — CID 115626498

IUPAC2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine
SMILESC=C(C)C/N=C(\N)NC(C)C
InChIInChI=1S/C8H17N3/c1-6(2)5-10-8(9)11-7(3)4/h7H,1,5H2,2-4H3,(H3,9,10,11)
InChIKeyOIXBZHAHAOQREP-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds3

About 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine

2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine (PubChem CID 115626498) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine
PubChem CID115626498
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine
SMILESC=C(C)C/N=C(\N)NC(C)C
InChIInChI=1S/C8H17N3/c1-6(2)5-10-8(9)11-7(3)4/h7H,1,5H2,2-4H3,(H3,9,10,11)
InChIKeyOIXBZHAHAOQREP-UHFFFAOYSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
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
Pterogynidine
CID 10035557
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
1-(2-Fluoroethyl)-2-(2-methylprop-2-enyl)guanidine
CID 131224434
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
2-Methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780058
1-Tert-butyl-2-methyl-3-prop-2-enylguanidine
CID 117759033
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
CID 131992426
ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide
CID 143326378
4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butylazanium
CID 21601572

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine (CID 115626498) is 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine is C=C(C)C/N=C(\N)NC(C)C.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine?
The InChIKey is OIXBZHAHAOQREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-6(2)5-10-8(9)11-7(3)4/h7H,1,5H2,2-4H3,(H3,9,10,11).
What are the key properties of 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine?
2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine has a molecular weight of 155.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 115626498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).