N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne

C15H28N2 — CID 143115622

IUPACN-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne
SMILESC#CC.C/C=N/C=C\CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C6H11N.C3H4/c1-6-2-4-7-5-3-6;1-3-5-6-7-4-2;1-3-2/h6-7H,2-5H2,1H3;4-6H,3H2,1-2H3;1H,2H3/b;6-5-,7-4+;
InChIKeyCQQYBTGFYUWTQM-YGWLYJDPSA-N
MW236.40 g/mol
LogP3.65
Rot. Bonds2

About N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne

N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne (PubChem CID 143115622) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne
PubChem CID143115622
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne
SMILESC#CC.C/C=N/C=C\CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C6H11N.C3H4/c1-6-2-4-7-5-3-6;1-3-5-6-7-4-2;1-3-2/h6-7H,2-5H2,1H3;4-6H,3H2,1-2H3;1H,2H3/b;6-5-,7-4+;
InChIKeyCQQYBTGFYUWTQM-YGWLYJDPSA-N
XLogP3.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne?
The IUPAC name of N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne (CID 143115622) is N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne.
What is the SMILES notation for N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne?
The canonical SMILES for N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne is C#CC.C/C=N/C=C\CC.CC1CCNCC1.
What is the InChIKey of N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne?
The InChIKey is CQQYBTGFYUWTQM-YGWLYJDPSA-N. The full InChI is InChI=1S/C6H13N.C6H11N.C3H4/c1-6-2-4-7-5-3-6;1-3-5-6-7-4-2;1-3-2/h6-7H,2-5H2,1H3;4-6H,3H2,1-2H3;1H,2H3/b;6-5-,7-4+;.
What are the key properties of N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne?
N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne has a molecular weight of 236.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne is sourced from PubChem (CID 143115622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).