(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine

C15H25N — CID 154957795

IUPAC(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine
SMILESC=C/C=C\C(=C/C)N/C(=C/CCC)C(C)C
InChIInChI=1S/C15H25N/c1-6-9-11-14(8-3)16-15(13(4)5)12-10-7-2/h6,8-9,11-13,16H,1,7,10H2,2-5H3/b11-9-,14-8+,15-12+
InChIKeyIFLCWPIQYHKXCF-DIBIQGHZSA-N
MW219.37 g/mol
LogP4.56
Rot. Bonds7

About (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine

(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine (PubChem CID 154957795) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine
PubChem CID154957795
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine
SMILESC=C/C=C\C(=C/C)N/C(=C/CCC)C(C)C
InChIInChI=1S/C15H25N/c1-6-9-11-14(8-3)16-15(13(4)5)12-10-7-2/h6,8-9,11-13,16H,1,7,10H2,2-5H3/b11-9-,14-8+,15-12+
InChIKeyIFLCWPIQYHKXCF-DIBIQGHZSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
5-ethylsulfonylnona-1,3,5-triene
CID 91528996
(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097
ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
CID 144641334
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide
CID 143464516

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine?
The IUPAC name of (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine (CID 154957795) is (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine.
What is the SMILES notation for (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine?
The canonical SMILES for (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine is C=C/C=C\C(=C/C)N/C(=C/CCC)C(C)C.
What is the InChIKey of (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine?
The InChIKey is IFLCWPIQYHKXCF-DIBIQGHZSA-N. The full InChI is InChI=1S/C15H25N/c1-6-9-11-14(8-3)16-15(13(4)5)12-10-7-2/h6,8-9,11-13,16H,1,7,10H2,2-5H3/b11-9-,14-8+,15-12+.
What are the key properties of (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine?
(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine has a molecular weight of 219.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine is sourced from PubChem (CID 154957795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).