lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine

C19H36LiNO — CID 153293937

IUPAClithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C(C)C(CC/C(=C\[CH2-])CCCCC)OCCCN(C)C.[Li+]
InChIInChI=1S/C19H36NO.Li/c1-7-9-10-12-18(8-2)13-14-19(17(3)4)21-16-11-15-20(5)6;/h8,19H,2-3,7,9-16H2,1,4-6H3;/q-1;+1/b18-8-;
InChIKeyVWWLHUYVQYUIJC-NOILCQHBSA-N
MW301.44 g/mol
LogP2.02
Rot. Bonds13

About lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine

lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 153293937) has the molecular formula C19H36LiNO and a molecular weight of 301.44 g/mol. Its IUPAC name is lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namelithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID153293937
Molecular FormulaC19H36LiNO
Molecular Weight301.44 g/mol
Exact Mass301.30
IUPAC Namelithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C(C)C(CC/C(=C\[CH2-])CCCCC)OCCCN(C)C.[Li+]
InChIInChI=1S/C19H36NO.Li/c1-7-9-10-12-18(8-2)13-14-19(17(3)4)21-16-11-15-20(5)6;/h8,19H,2-3,7,9-16H2,1,4-6H3;/q-1;+1/b18-8-;
InChIKeyVWWLHUYVQYUIJC-NOILCQHBSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 153293937) is lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine is C=C(C)C(CC/C(=C\[CH2-])CCCCC)OCCCN(C)C.[Li+].
What is the InChIKey of lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is VWWLHUYVQYUIJC-NOILCQHBSA-N. The full InChI is InChI=1S/C19H36NO.Li/c1-7-9-10-12-18(8-2)13-14-19(17(3)4)21-16-11-15-20(5)6;/h8,19H,2-3,7,9-16H2,1,4-6H3;/q-1;+1/b18-8-;.
What are the key properties of lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 301.44 g/mol, XLogP of 2.02, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 153293937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).