ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine

C21H45N3 — CID 145341988

IUPACethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine
SMILESCC.CC/C=C\C(CN(C)CC(C)C)=N/C.CCN1CCCCC1
InChIInChI=1S/C12H24N2.C7H15N.C2H6/c1-6-7-8-12(13-4)10-14(5)9-11(2)3;1-2-8-6-4-3-5-7-8;1-2/h7-8,11H,6,9-10H2,1-5H3;2-7H2,1H3;1-2H3/b8-7-,13-12+;;
InChIKeyOUBBUJCXYKMEHS-GZSWNXSFSA-N
MW339.61 g/mol
LogP5.13
Rot. Bonds7

About ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine

ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine (PubChem CID 145341988) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine.

Molecular Properties

Compound Nameethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine
PubChem CID145341988
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Nameethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine
SMILESCC.CC/C=C\C(CN(C)CC(C)C)=N/C.CCN1CCCCC1
InChIInChI=1S/C12H24N2.C7H15N.C2H6/c1-6-7-8-12(13-4)10-14(5)9-11(2)3;1-2-8-6-4-3-5-7-8;1-2/h7-8,11H,6,9-10H2,1-5H3;2-7H2,1H3;1-2H3/b8-7-,13-12+;;
InChIKeyOUBBUJCXYKMEHS-GZSWNXSFSA-N
XLogP5.13
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 55.13
H-Bond Donors ≤ 50
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;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine?
The IUPAC name of ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine (CID 145341988) is ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine.
What is the SMILES notation for ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine?
The canonical SMILES for ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine is CC.CC/C=C\C(CN(C)CC(C)C)=N/C.CCN1CCCCC1.
What is the InChIKey of ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine?
The InChIKey is OUBBUJCXYKMEHS-GZSWNXSFSA-N. The full InChI is InChI=1S/C12H24N2.C7H15N.C2H6/c1-6-7-8-12(13-4)10-14(5)9-11(2)3;1-2-8-6-4-3-5-7-8;1-2/h7-8,11H,6,9-10H2,1-5H3;2-7H2,1H3;1-2H3/b8-7-,13-12+;;.
What are the key properties of ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine?
ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine has a molecular weight of 339.61 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine is sourced from PubChem (CID 145341988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).