(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine

C13H21N — CID 88957085

IUPAC(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine
SMILESC=CCCC(=C)/C(C)=C\C=C(/C)CN
InChIInChI=1S/C13H21N/c1-5-6-7-12(3)13(4)9-8-11(2)10-14/h5,8-9H,1,3,6-7,10,14H2,2,4H3/b11-8+,13-9-
InChIKeyVAGODOPQSSBKPG-YGOOLXEZSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds6

About (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine

(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine (PubChem CID 88957085) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine
PubChem CID88957085
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine
SMILESC=CCCC(=C)/C(C)=C\C=C(/C)CN
InChIInChI=1S/C13H21N/c1-5-6-7-12(3)13(4)9-8-11(2)10-14/h5,8-9H,1,3,6-7,10,14H2,2,4H3/b11-8+,13-9-
InChIKeyVAGODOPQSSBKPG-YGOOLXEZSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine?
The IUPAC name of (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine (CID 88957085) is (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine.
What is the SMILES notation for (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine?
The canonical SMILES for (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine is C=CCCC(=C)/C(C)=C\C=C(/C)CN.
What is the InChIKey of (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine?
The InChIKey is VAGODOPQSSBKPG-YGOOLXEZSA-N. The full InChI is InChI=1S/C13H21N/c1-5-6-7-12(3)13(4)9-8-11(2)10-14/h5,8-9H,1,3,6-7,10,14H2,2,4H3/b11-8+,13-9-.
What are the key properties of (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine?
(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine is sourced from PubChem (CID 88957085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).