ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine

C15H35N3 — CID 169104175

IUPACethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine
SMILESC/C=N/CC.C=CNC.CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C4H9N.C3H7N.C2H6/c1-6-2-4-7-5-3-6;1-3-5-4-2;1-3-4-2;1-2/h6-7H,2-5H2,1H3;3H,4H2,1-2H3;3-4H,1H2,2H3;1-2H3/b;5-3+;;
InChIKeyCSTMCVHEXSNPCP-WBFLYLAESA-N
MW257.47 g/mol
LogP3.48
Rot. Bonds2

About ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine

ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine (PubChem CID 169104175) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine.

Molecular Properties

Compound Nameethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine
PubChem CID169104175
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Nameethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine
SMILESC/C=N/CC.C=CNC.CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C4H9N.C3H7N.C2H6/c1-6-2-4-7-5-3-6;1-3-5-4-2;1-3-4-2;1-2/h6-7H,2-5H2,1H3;3H,4H2,1-2H3;3-4H,1H2,2H3;1-2H3/b;5-3+;;
InChIKeyCSTMCVHEXSNPCP-WBFLYLAESA-N
XLogP3.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine?
The IUPAC name of ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine (CID 169104175) is ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine.
What is the SMILES notation for ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine?
The canonical SMILES for ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine is C/C=N/CC.C=CNC.CC.CC1CCNCC1.
What is the InChIKey of ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine?
The InChIKey is CSTMCVHEXSNPCP-WBFLYLAESA-N. The full InChI is InChI=1S/C6H13N.C4H9N.C3H7N.C2H6/c1-6-2-4-7-5-3-6;1-3-5-4-2;1-3-4-2;1-2/h6-7H,2-5H2,1H3;3H,4H2,1-2H3;3-4H,1H2,2H3;1-2H3/b;5-3+;;.
What are the key properties of ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine?
ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine has a molecular weight of 257.47 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine is sourced from PubChem (CID 169104175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).