2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine

C8H15N3 — CID 130439809

IUPAC2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine
SMILESC=C(C)N/C(N=C(C)C)=N/C
InChIInChI=1S/C8H15N3/c1-6(2)10-8(9-5)11-7(3)4/h1H2,2-5H3,(H,9,10)
InChIKeySEOJZVOVLOXJOA-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.58
Rot. Bonds1

About 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine

2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine (PubChem CID 130439809) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine
PubChem CID130439809
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine
SMILESC=C(C)N/C(N=C(C)C)=N/C
InChIInChI=1S/C8H15N3/c1-6(2)10-8(9-5)11-7(3)4/h1H2,2-5H3,(H,9,10)
InChIKeySEOJZVOVLOXJOA-UHFFFAOYSA-N
XLogP1.58
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine?
The IUPAC name of 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine (CID 130439809) is 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine.
What is the SMILES notation for 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine?
The canonical SMILES for 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine is C=C(C)N/C(N=C(C)C)=N/C.
What is the InChIKey of 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine?
The InChIKey is SEOJZVOVLOXJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)10-8(9-5)11-7(3)4/h1H2,2-5H3,(H,9,10).
What are the key properties of 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine?
2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine has a molecular weight of 153.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylidene-3-prop-1-en-2-ylguanidine is sourced from PubChem (CID 130439809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).