(E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine

C15H32N2 — CID 146540551

IUPAC(E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine
SMILESC/C=C(\C)CN(C)CC.C/C=C(\C)CNCC
InChIInChI=1S/C8H17N.C7H15N/c1-5-8(3)7-9(4)6-2;1-4-7(3)6-8-5-2/h5H,6-7H2,1-4H3;4,8H,5-6H2,1-3H3/b8-5+;7-4+
InChIKeyZBNNYMCDNXQNSL-IDJYZFDHSA-N
MW240.43 g/mol
LogP3.47
Rot. Bonds6

About (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine

(E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine (PubChem CID 146540551) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine
PubChem CID146540551
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name(E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine
SMILESC/C=C(\C)CN(C)CC.C/C=C(\C)CNCC
InChIInChI=1S/C8H17N.C7H15N/c1-5-8(3)7-9(4)6-2;1-4-7(3)6-8-5-2/h5H,6-7H2,1-4H3;4,8H,5-6H2,1-3H3/b8-5+;7-4+
InChIKeyZBNNYMCDNXQNSL-IDJYZFDHSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine (CID 146540551) is (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine is C/C=C(\C)CN(C)CC.C/C=C(\C)CNCC.
What is the InChIKey of (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine?
The InChIKey is ZBNNYMCDNXQNSL-IDJYZFDHSA-N. The full InChI is InChI=1S/C8H17N.C7H15N/c1-5-8(3)7-9(4)6-2;1-4-7(3)6-8-5-2/h5H,6-7H2,1-4H3;4,8H,5-6H2,1-3H3/b8-5+;7-4+.
What are the key properties of (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine?
(E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine is sourced from PubChem (CID 146540551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).