10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine

C20H37NO — CID 142379996

IUPAC10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine
SMILESC=C(C)NCCCCC(=C)C(=C)C(C)C(C)CC(CC)OC
InChIInChI=1S/C20H37NO/c1-9-20(22-8)14-17(5)19(7)18(6)16(4)12-10-11-13-21-15(2)3/h17,19-21H,2,4,6,9-14H2,1,3,5,7-8H3
InChIKeySSEQXOXUEKYNOG-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.48
Rot. Bonds13

About 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine

10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine (PubChem CID 142379996) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine.

Molecular Properties

Compound Name10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine
PubChem CID142379996
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine
SMILESC=C(C)NCCCCC(=C)C(=C)C(C)C(C)CC(CC)OC
InChIInChI=1S/C20H37NO/c1-9-20(22-8)14-17(5)19(7)18(6)16(4)12-10-11-13-21-15(2)3/h17,19-21H,2,4,6,9-14H2,1,3,5,7-8H3
InChIKeySSEQXOXUEKYNOG-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine?
The IUPAC name of 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine (CID 142379996) is 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine.
What is the SMILES notation for 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine?
The canonical SMILES for 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine is C=C(C)NCCCCC(=C)C(=C)C(C)C(C)CC(CC)OC.
What is the InChIKey of 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine?
The InChIKey is SSEQXOXUEKYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-9-20(22-8)14-17(5)19(7)18(6)16(4)12-10-11-13-21-15(2)3/h17,19-21H,2,4,6,9-14H2,1,3,5,7-8H3.
What are the key properties of 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine?
10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine has a molecular weight of 307.52 g/mol, XLogP of 5.48, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-7,8-dimethyl-5,6-dimethylidene-N-prop-1-en-2-yldodecan-1-amine is sourced from PubChem (CID 142379996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).