(3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine

C18H34N2O — CID 146318179

IUPAC(3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine
SMILESCC/C=C(/C=C(C(\N)=C(/C)C(C)C)/C(C)C)OCCNC
InChIInChI=1S/C18H34N2O/c1-8-9-16(21-11-10-20-7)12-17(14(4)5)18(19)15(6)13(2)3/h9,12-14,20H,8,10-11,19H2,1-7H3/b16-9-,17-12-,18-15-
InChIKeyUMCXBDJNFDATPV-KSGQYQEVSA-N
MW294.48 g/mol
LogP3.99
Rot. Bonds9

About (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine

(3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine (PubChem CID 146318179) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine
PubChem CID146318179
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine
SMILESCC/C=C(/C=C(C(\N)=C(/C)C(C)C)/C(C)C)OCCNC
InChIInChI=1S/C18H34N2O/c1-8-9-16(21-11-10-20-7)12-17(14(4)5)18(19)15(6)13(2)3/h9,12-14,20H,8,10-11,19H2,1-7H3/b16-9-,17-12-,18-15-
InChIKeyUMCXBDJNFDATPV-KSGQYQEVSA-N
XLogP3.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine?
The IUPAC name of (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine (CID 146318179) is (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine.
What is the SMILES notation for (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine?
The canonical SMILES for (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine is CC/C=C(/C=C(C(\N)=C(/C)C(C)C)/C(C)C)OCCNC.
What is the InChIKey of (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine?
The InChIKey is UMCXBDJNFDATPV-KSGQYQEVSA-N. The full InChI is InChI=1S/C18H34N2O/c1-8-9-16(21-11-10-20-7)12-17(14(4)5)18(19)15(6)13(2)3/h9,12-14,20H,8,10-11,19H2,1-7H3/b16-9-,17-12-,18-15-.
What are the key properties of (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine?
(3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine has a molecular weight of 294.48 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-2,3-dimethyl-7-[2-(methylamino)ethoxy]-5-propan-2-yldeca-3,5,7-trien-4-amine is sourced from PubChem (CID 146318179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).