(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine

C10H17N — CID 89232788

IUPAC(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(C)C
InChIInChI=1S/C10H17N/c1-5-7-8-10(6-2)9-11(3)4/h5-8H,1,9H2,2-4H3/b8-7-,10-6+
InChIKeyDTSRVIKUDOEPOD-SDHBEMGISA-N
MW151.25 g/mol
LogP2.24
Rot. Bonds4

About (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine

(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine (PubChem CID 89232788) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine
PubChem CID89232788
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(C)C
InChIInChI=1S/C10H17N/c1-5-7-8-10(6-2)9-11(3)4/h5-8H,1,9H2,2-4H3/b8-7-,10-6+
InChIKeyDTSRVIKUDOEPOD-SDHBEMGISA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.24
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 (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine (CID 89232788) is (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine is C=C/C=C\C(=C/C)CN(C)C.
What is the InChIKey of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine?
The InChIKey is DTSRVIKUDOEPOD-SDHBEMGISA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-8-10(6-2)9-11(3)4/h5-8H,1,9H2,2-4H3/b8-7-,10-6+.
What are the key properties of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine?
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 89232788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).