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

C16H34N4 — CID 169122753

IUPAC(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine
SMILESC=C/C(C)=N\C(=N\C)NCC.CC.CN1CCCCC1
InChIInChI=1S/C8H15N3.C6H13N.C2H6/c1-5-7(3)11-8(9-4)10-6-2;1-7-5-3-2-4-6-7;1-2/h5H,1,6H2,2-4H3,(H,9,10);2-6H2,1H3;1-2H3/b11-7-;;
InChIKeyUFQRZSSLYJRQBO-FJJKMGSJSA-N
MW282.48 g/mol
LogP3.36
Rot. Bonds2

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

(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine (PubChem CID 169122753) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine.

Molecular Properties

Compound Name(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine
PubChem CID169122753
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine
SMILESC=C/C(C)=N\C(=N\C)NCC.CC.CN1CCCCC1
InChIInChI=1S/C8H15N3.C6H13N.C2H6/c1-5-7(3)11-8(9-4)10-6-2;1-7-5-3-2-4-6-7;1-2/h5H,1,6H2,2-4H3,(H,9,10);2-6H2,1H3;1-2H3/b11-7-;;
InChIKeyUFQRZSSLYJRQBO-FJJKMGSJSA-N
XLogP3.36
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine?
The IUPAC name of (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine (CID 169122753) is (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine.
What is the SMILES notation for (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine?
The canonical SMILES for (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine is C=C/C(C)=N\C(=N\C)NCC.CC.CN1CCCCC1.
What is the InChIKey of (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine?
The InChIKey is UFQRZSSLYJRQBO-FJJKMGSJSA-N. The full InChI is InChI=1S/C8H15N3.C6H13N.C2H6/c1-5-7(3)11-8(9-4)10-6-2;1-7-5-3-2-4-6-7;1-2/h5H,1,6H2,2-4H3,(H,9,10);2-6H2,1H3;1-2H3/b11-7-;;.
What are the key properties of (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine?
(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine has a molecular weight of 282.48 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine is sourced from PubChem (CID 169122753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).