ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine

C16H27N — CID 143203776

IUPACethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(CC)/C(C=C)=C/C.CC
InChIInChI=1S/C14H21N.C2H6/c1-6-11-14(12-7-2)15(10-5)13(8-3)9-4;1-2/h6-9,11-12H,1,3,10H2,2,4-5H3;1-2H3/b12-7-,13-9+,14-11+;
InChIKeyKKMIZHGOTBVKNQ-HJSGMMIPSA-N
MW233.40 g/mol
LogP5.07
Rot. Bonds6

About ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine

ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine (PubChem CID 143203776) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Nameethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
PubChem CID143203776
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Nameethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(CC)/C(C=C)=C/C.CC
InChIInChI=1S/C14H21N.C2H6/c1-6-11-14(12-7-2)15(10-5)13(8-3)9-4;1-2/h6-9,11-12H,1,3,10H2,2,4-5H3;1-2H3/b12-7-,13-9+,14-11+;
InChIKeyKKMIZHGOTBVKNQ-HJSGMMIPSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
CID 178019036
(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 139420267
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290
(3E,5Z)-N-butyl-N-methylhepta-1,3,5-trien-4-amine
CID 143005008
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine
CID 146531240
ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
CID 144687212
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
CID 144687213
N-[(E)-but-2-en-2-yl]-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]aniline
CID 143515977
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine?
The IUPAC name of ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine (CID 143203776) is ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine.
What is the SMILES notation for ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine?
The canonical SMILES for ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/C)N(CC)/C(C=C)=C/C.CC.
What is the InChIKey of ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine?
The InChIKey is KKMIZHGOTBVKNQ-HJSGMMIPSA-N. The full InChI is InChI=1S/C14H21N.C2H6/c1-6-11-14(12-7-2)15(10-5)13(8-3)9-4;1-2/h6-9,11-12H,1,3,10H2,2,4-5H3;1-2H3/b12-7-,13-9+,14-11+;.
What are the key properties of ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine?
ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine has a molecular weight of 233.40 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 143203776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).