N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene

C14H23N — CID 142104146

IUPACN-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C=C.C=CN(CC)C(=C)C
InChIInChI=1S/C7H13N.C7H10/c1-5-8(6-2)7(3)4;1-4-6-7(3)5-2/h5H,1,3,6H2,2,4H3;4-6H,1-2H2,3H3/b;7-6-
InChIKeyADUCGVAOUZGKNI-VDXOJYAPSA-N
MW205.34 g/mol
LogP4.29
Rot. Bonds5

About N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene

N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene (PubChem CID 142104146) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound NameN-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene
PubChem CID142104146
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C=C.C=CN(CC)C(=C)C
InChIInChI=1S/C7H13N.C7H10/c1-5-8(6-2)7(3)4;1-4-6-7(3)5-2/h5H,1,3,6H2,2,4H3;4-6H,1-2H2,3H3/b;7-6-
InChIKeyADUCGVAOUZGKNI-VDXOJYAPSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.29
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 N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene?
The IUPAC name of N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene (CID 142104146) is N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene.
What is the SMILES notation for N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene?
The canonical SMILES for N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene is C=C/C=C(/C)C=C.C=CN(CC)C(=C)C.
What is the InChIKey of N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene?
The InChIKey is ADUCGVAOUZGKNI-VDXOJYAPSA-N. The full InChI is InChI=1S/C7H13N.C7H10/c1-5-8(6-2)7(3)4;1-4-6-7(3)5-2/h5H,1,3,6H2,2,4H3;4-6H,1-2H2,3H3/b;7-6-.
What are the key properties of N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene?
N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene has a molecular weight of 205.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 142104146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).