(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine

C8H15N3 — CID 129153192

IUPAC(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine
SMILESC=C/C(C)=N\C(=N\C)NCC
InChIInChI=1S/C8H15N3/c1-5-7(3)11-8(9-4)10-6-2/h5H,1,6H2,2-4H3,(H,9,10)/b11-7-
InChIKeyRKQXWQRZBNXDHR-XFFZJAGNSA-N
MW153.23 g/mol
LogP1.23
Rot. Bonds2

About (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine

(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine (PubChem CID 129153192) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine.

Molecular Properties

Compound Name(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine
PubChem CID129153192
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine
SMILESC=C/C(C)=N\C(=N\C)NCC
InChIInChI=1S/C8H15N3/c1-5-7(3)11-8(9-4)10-6-2/h5H,1,6H2,2-4H3,(H,9,10)/b11-7-
InChIKeyRKQXWQRZBNXDHR-XFFZJAGNSA-N
XLogP1.23
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.23
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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Related Compounds

N-ethyl-6-methyl-4H-pyrimidin-4-id-2-amine;tungsten
CID 57937727
N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine
CID 123314398
4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine
CID 137103485
1-But-3-en-2-ylidene-3-hexyl-2-(methylaminomethyl)guanidine
CID 163493648
1-But-3-en-2-ylidene-3-ethyl-2-methylguanidine
CID 173689495
1-(1-Aminobut-3-en-2-ylidene)-2-(butylaminomethyl)guanidine
CID 173874988
2-But-3-enyl-1-propan-2-ylguanidine
CID 116035409

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine?
The IUPAC name of (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine (CID 129153192) is (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine.
What is the SMILES notation for (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine?
The canonical SMILES for (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine is C=C/C(C)=N\C(=N\C)NCC.
What is the InChIKey of (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine?
The InChIKey is RKQXWQRZBNXDHR-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-7(3)11-8(9-4)10-6-2/h5H,1,6H2,2-4H3,(H,9,10)/b11-7-.
What are the key properties of (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine?
(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine has a molecular weight of 153.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine is sourced from PubChem (CID 129153192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).