3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine

C10H18N4 — CID 163646424

IUPAC3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine
SMILES[H]/N=C(\C)C(C)=N/C(=N/C(=C)C)N(C)C
InChIInChI=1S/C10H18N4/c1-7(2)12-10(14(5)6)13-9(4)8(3)11/h11H,1H2,2-6H3/b11-8+,12-10-,13-9?
InChIKeyIIPHGYMYGSQHPF-DKPVHODNSA-N
MW194.28 g/mol
LogP1.94
Rot. Bonds2

About 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine

3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine (PubChem CID 163646424) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine.

Molecular Properties

Compound Name3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine
PubChem CID163646424
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine
SMILES[H]/N=C(\C)C(C)=N/C(=N/C(=C)C)N(C)C
InChIInChI=1S/C10H18N4/c1-7(2)12-10(14(5)6)13-9(4)8(3)11/h11H,1H2,2-6H3/b11-8+,12-10-,13-9?
InChIKeyIIPHGYMYGSQHPF-DKPVHODNSA-N
XLogP1.94
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
CID 123623563

Frequently Asked Questions

What is the IUPAC name of 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine?
The IUPAC name of 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine (CID 163646424) is 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine.
What is the SMILES notation for 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine?
The canonical SMILES for 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine is [H]/N=C(\C)C(C)=N/C(=N/C(=C)C)N(C)C.
What is the InChIKey of 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine?
The InChIKey is IIPHGYMYGSQHPF-DKPVHODNSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)12-10(14(5)6)13-9(4)8(3)11/h11H,1H2,2-6H3/b11-8+,12-10-,13-9?.
What are the key properties of 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine?
3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine has a molecular weight of 194.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine is sourced from PubChem (CID 163646424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).