(7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine

C15H30N2O — CID 175627692

IUPAC(7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine
SMILESC/C=C(\CC(C)OC)C(N)C(C)C(=CCC)NC
InChIInChI=1S/C15H30N2O/c1-7-9-14(17-5)12(4)15(16)13(8-2)10-11(3)18-6/h8-9,11-12,15,17H,7,10,16H2,1-6H3/b13-8+,14-9?
InChIKeyRVLQWPWFESBDGZ-UVGNWNSDSA-N
MW254.42 g/mol
LogP2.83
Rot. Bonds8

About (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine

(7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine (PubChem CID 175627692) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine.

Molecular Properties

Compound Name(7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine
PubChem CID175627692
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine
SMILESC/C=C(\CC(C)OC)C(N)C(C)C(=CCC)NC
InChIInChI=1S/C15H30N2O/c1-7-9-14(17-5)12(4)15(16)13(8-2)10-11(3)18-6/h8-9,11-12,15,17H,7,10,16H2,1-6H3/b13-8+,14-9?
InChIKeyRVLQWPWFESBDGZ-UVGNWNSDSA-N
XLogP2.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine?
The IUPAC name of (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine (CID 175627692) is (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine.
What is the SMILES notation for (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine?
The canonical SMILES for (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine is C/C=C(\CC(C)OC)C(N)C(C)C(=CCC)NC.
What is the InChIKey of (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine?
The InChIKey is RVLQWPWFESBDGZ-UVGNWNSDSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-9-14(17-5)12(4)15(16)13(8-2)10-11(3)18-6/h8-9,11-12,15,17H,7,10,16H2,1-6H3/b13-8+,14-9?.
What are the key properties of (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine?
(7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-ethylidene-9-methoxy-4-N,5-dimethyldec-3-ene-4,6-diamine is sourced from PubChem (CID 175627692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).