lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine

C19H36LiNO — CID 153293926

IUPAClithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C(C)C(CC/C([CH2-])=C\CCCCC)OCCCN(C)C.[Li+]
InChIInChI=1S/C19H36NO.Li/c1-7-8-9-10-12-18(4)13-14-19(17(2)3)21-16-11-15-20(5)6;/h12,19H,2,4,7-11,13-16H2,1,3,5-6H3;/q-1;+1/b18-12-;
InChIKeyMJOGUFHJTVKNMF-UWRQUICRSA-N
MW301.44 g/mol
LogP2.02
Rot. Bonds13

About lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine

lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 153293926) has the molecular formula C19H36LiNO and a molecular weight of 301.44 g/mol. Its IUPAC name is lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namelithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID153293926
Molecular FormulaC19H36LiNO
Molecular Weight301.44 g/mol
Exact Mass301.30
IUPAC Namelithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C(C)C(CC/C([CH2-])=C\CCCCC)OCCCN(C)C.[Li+]
InChIInChI=1S/C19H36NO.Li/c1-7-8-9-10-12-18(4)13-14-19(17(2)3)21-16-11-15-20(5)6;/h12,19H,2,4,7-11,13-16H2,1,3,5-6H3;/q-1;+1/b18-12-;
InChIKeyMJOGUFHJTVKNMF-UWRQUICRSA-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'}

Analyze lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 139502223
N,N-dimethyl-3-[(3R)-2-methyl-6-methylideneocta-1,7-dien-3-yl]oxypropan-1-amine
CID 139514335
N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine
CID 139514336
lithium 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 153293937
N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine
CID 155365754
lithium 3-[(2E,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 155617683
lithium 3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine
CID 156682910
lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 156682918
3-[(6Z)-2,6-dimethyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 153293927
3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 153293938
3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 156682919

Frequently Asked Questions

What is the IUPAC name of lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 153293926) is lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine is C=C(C)C(CC/C([CH2-])=C\CCCCC)OCCCN(C)C.[Li+].
What is the InChIKey of lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is MJOGUFHJTVKNMF-UWRQUICRSA-N. The full InChI is InChI=1S/C19H36NO.Li/c1-7-8-9-10-12-18(4)13-14-19(17(2)3)21-16-11-15-20(5)6;/h12,19H,2,4,7-11,13-16H2,1,3,5-6H3;/q-1;+1/b18-12-;.
What are the key properties of lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-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-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 153293926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).