(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine

C14H21N — CID 155240504

IUPAC(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C)N(C)C(=C)/C=C\C=C/CC
InChIInChI=1S/C14H21N/c1-6-8-9-10-12-14(4)15(5)13(3)11-7-2/h7-12H,3-4,6H2,1-2,5H3/b9-8-,11-7-,12-10-
InChIKeyHWLSVNYEPDAGCQ-XPVHWWMSSA-N
MW203.33 g/mol
LogP4.04
Rot. Bonds6

About (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine

(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine (PubChem CID 155240504) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
PubChem CID155240504
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C)N(C)C(=C)/C=C\C=C/CC
InChIInChI=1S/C14H21N/c1-6-8-9-10-12-14(4)15(5)13(3)11-7-2/h7-12H,3-4,6H2,1-2,5H3/b9-8-,11-7-,12-10-
InChIKeyHWLSVNYEPDAGCQ-XPVHWWMSSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine (CID 155240504) is (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine is C=C(/C=C\C)N(C)C(=C)/C=C\C=C/CC.
What is the InChIKey of (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine?
The InChIKey is HWLSVNYEPDAGCQ-XPVHWWMSSA-N. The full InChI is InChI=1S/C14H21N/c1-6-8-9-10-12-14(4)15(5)13(3)11-7-2/h7-12H,3-4,6H2,1-2,5H3/b9-8-,11-7-,12-10-.
What are the key properties of (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine?
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine has a molecular weight of 203.33 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine is sourced from PubChem (CID 155240504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).