(3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine

C13H19N — CID 135243145

IUPAC(3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine
SMILESC=C/C=C(/C(=C)/C=C\C=C/C)N(C)C
InChIInChI=1S/C13H19N/c1-6-8-9-11-12(3)13(10-7-2)14(4)5/h6-11H,2-3H2,1,4-5H3/b8-6-,11-9-,13-10-
InChIKeyYNVXRGCFEDJMHS-LPNUQKNFSA-N
MW189.30 g/mol
LogP3.31
Rot. Bonds5

About (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine

(3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine (PubChem CID 135243145) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine.

Molecular Properties

Compound Name(3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine
PubChem CID135243145
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine
SMILESC=C/C=C(/C(=C)/C=C\C=C/C)N(C)C
InChIInChI=1S/C13H19N/c1-6-8-9-11-12(3)13(10-7-2)14(4)5/h6-11H,2-3H2,1,4-5H3/b8-6-,11-9-,13-10-
InChIKeyYNVXRGCFEDJMHS-LPNUQKNFSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.31
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,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine?
The IUPAC name of (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine (CID 135243145) is (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine.
What is the SMILES notation for (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine?
The canonical SMILES for (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine is C=C/C=C(/C(=C)/C=C\C=C/C)N(C)C.
What is the InChIKey of (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine?
The InChIKey is YNVXRGCFEDJMHS-LPNUQKNFSA-N. The full InChI is InChI=1S/C13H19N/c1-6-8-9-11-12(3)13(10-7-2)14(4)5/h6-11H,2-3H2,1,4-5H3/b8-6-,11-9-,13-10-.
What are the key properties of (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine?
(3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine has a molecular weight of 189.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine is sourced from PubChem (CID 135243145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).