(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine

C14H21N — CID 87415404

IUPAC(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine
SMILESC=C/C=C\C(C(=C)C)=C(\C=C/C)N(C)C
InChIInChI=1S/C14H21N/c1-7-9-11-13(12(3)4)14(10-8-2)15(5)6/h7-11H,1,3H2,2,4-6H3/b10-8-,11-9-,14-13+
InChIKeyLOMYRIXASUFJEF-KUMKROPXSA-N
MW203.33 g/mol
LogP3.70
Rot. Bonds5

About (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine

(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine (PubChem CID 87415404) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine.

Molecular Properties

Compound Name(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine
PubChem CID87415404
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine
SMILESC=C/C=C\C(C(=C)C)=C(\C=C/C)N(C)C
InChIInChI=1S/C14H21N/c1-7-9-11-13(12(3)4)14(10-8-2)15(5)6/h7-11H,1,3H2,2,4-6H3/b10-8-,11-9-,14-13+
InChIKeyLOMYRIXASUFJEF-KUMKROPXSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.70
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 (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine?
The IUPAC name of (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine (CID 87415404) is (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine.
What is the SMILES notation for (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine?
The canonical SMILES for (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine is C=C/C=C\C(C(=C)C)=C(\C=C/C)N(C)C.
What is the InChIKey of (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine?
The InChIKey is LOMYRIXASUFJEF-KUMKROPXSA-N. The full InChI is InChI=1S/C14H21N/c1-7-9-11-13(12(3)4)14(10-8-2)15(5)6/h7-11H,1,3H2,2,4-6H3/b10-8-,11-9-,14-13+.
What are the key properties of (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine?
(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine has a molecular weight of 203.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine is sourced from PubChem (CID 87415404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).