methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium

C17H31N2+ — CID 170367442

IUPACmethyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)C(CC(=C)N(C)/C=C\C)C(C)CCC
InChIInChI=1S/C17H31N2/c1-8-11-15(4)17(19(7)13-10-3)14-16(5)18(6)12-9-2/h9-10,12-13,15,17H,3,5,8,11,14H2,1-2,4,6-7H3/q+1/b12-9-,19-13+
InChIKeyCWSHLQMUAIQHOU-CSKCXYSASA-N
MW263.45 g/mol
LogP4.06
Rot. Bonds9

About methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium

methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium (PubChem CID 170367442) has the molecular formula C17H31N2+ and a molecular weight of 263.45 g/mol. Its IUPAC name is methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium.

Molecular Properties

Compound Namemethyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium
PubChem CID170367442
Molecular FormulaC17H31N2+
Molecular Weight263.45 g/mol
Exact Mass263.25
IUPAC Namemethyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)C(CC(=C)N(C)/C=C\C)C(C)CCC
InChIInChI=1S/C17H31N2/c1-8-11-15(4)17(19(7)13-10-3)14-16(5)18(6)12-9-2/h9-10,12-13,15,17H,3,5,8,11,14H2,1-2,4,6-7H3/q+1/b12-9-,19-13+
InChIKeyCWSHLQMUAIQHOU-CSKCXYSASA-N
XLogP4.06
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium?
The IUPAC name of methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium (CID 170367442) is methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium.
What is the SMILES notation for methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium?
The canonical SMILES for methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium is C=C/C=[N+](\C)C(CC(=C)N(C)/C=C\C)C(C)CCC.
What is the InChIKey of methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium?
The InChIKey is CWSHLQMUAIQHOU-CSKCXYSASA-N. The full InChI is InChI=1S/C17H31N2/c1-8-11-15(4)17(19(7)13-10-3)14-16(5)18(6)12-9-2/h9-10,12-13,15,17H,3,5,8,11,14H2,1-2,4,6-7H3/q+1/b12-9-,19-13+.
What are the key properties of methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium?
methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium has a molecular weight of 263.45 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium is sourced from PubChem (CID 170367442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).