1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine

C10H21N3 — CID 123410965

IUPAC1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
SMILESCC=C(C)C(C)N/C(=N/C)N(C)C
InChIInChI=1S/C10H21N3/c1-7-8(2)9(3)12-10(11-4)13(5)6/h7,9H,1-6H3,(H,11,12)
InChIKeyPMIXIJHVRFPVDI-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.48
Rot. Bonds2

About 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine

1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine (PubChem CID 123410965) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
PubChem CID123410965
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
SMILESCC=C(C)C(C)N/C(=N/C)N(C)C
InChIInChI=1S/C10H21N3/c1-7-8(2)9(3)12-10(11-4)13(5)6/h7,9H,1-6H3,(H,11,12)
InChIKeyPMIXIJHVRFPVDI-UHFFFAOYSA-N
XLogP1.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.48
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'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878537
N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine
CID 146777793
1-ethyl-1-methyl-2-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]guanidine
CID 154981800
1-[(E)-pent-2-enyl]-N-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 169970166
[Dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide
CID 177251619
1-Cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
CID 99850634
2-(3-Methylbut-2-enyl)-1-propan-2-ylguanidine
CID 103517453
3-ethyl-1-methyl-2-[(E)-pent-3-enyl]-1-pent-4-enylguanidine
CID 109497826
1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine
CID 109498740
1-cyclopent-3-en-1-yl-3-ethyl-2-[(E)-pent-3-enyl]guanidine
CID 109770965
1-cyclopent-3-en-1-yl-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 109771601
1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 111587732

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine?
The IUPAC name of 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine (CID 123410965) is 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine?
The canonical SMILES for 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine is CC=C(C)C(C)N/C(=N/C)N(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine?
The InChIKey is PMIXIJHVRFPVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-7-8(2)9(3)12-10(11-4)13(5)6/h7,9H,1-6H3,(H,11,12).
What are the key properties of 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine?
1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine has a molecular weight of 183.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-(3-methylpent-3-en-2-yl)guanidine is sourced from PubChem (CID 123410965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).