(3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine

C14H24N2 — CID 143205122

IUPAC(3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine
SMILESCC/C(=C/C=C\C=C/C(C)=N/C)CCNC
InChIInChI=1S/C14H24N2/c1-5-14(11-12-15-3)10-8-6-7-9-13(2)16-4/h6-10,15H,5,11-12H2,1-4H3/b8-6-,9-7-,14-10-,16-13+
InChIKeyDPGLJGXTYOYLLJ-MKJYAAFGSA-N
MW220.36 g/mol
LogP3.14
Rot. Bonds7

About (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine

(3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine (PubChem CID 143205122) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine
PubChem CID143205122
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine
SMILESCC/C(=C/C=C\C=C/C(C)=N/C)CCNC
InChIInChI=1S/C14H24N2/c1-5-14(11-12-15-3)10-8-6-7-9-13(2)16-4/h6-10,15H,5,11-12H2,1-4H3/b8-6-,9-7-,14-10-,16-13+
InChIKeyDPGLJGXTYOYLLJ-MKJYAAFGSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine?
The IUPAC name of (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine (CID 143205122) is (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine.
What is the SMILES notation for (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine?
The canonical SMILES for (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine is CC/C(=C/C=C\C=C/C(C)=N/C)CCNC.
What is the InChIKey of (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine?
The InChIKey is DPGLJGXTYOYLLJ-MKJYAAFGSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(11-12-15-3)10-8-6-7-9-13(2)16-4/h6-10,15H,5,11-12H2,1-4H3/b8-6-,9-7-,14-10-,16-13+.
What are the key properties of (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine?
(3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine is sourced from PubChem (CID 143205122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).