(E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine

C12H25N — CID 138716135

IUPAC(E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine
SMILESCC/C=C(\C)CN(CC)CCCC
InChIInChI=1S/C12H25N/c1-5-8-10-13(7-3)11-12(4)9-6-2/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyDMXKVRVBDUSNNS-FMIVXFBMSA-N
MW183.34 g/mol
LogP3.46
Rot. Bonds7

About (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine

(E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine (PubChem CID 138716135) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine
PubChem CID138716135
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine
SMILESCC/C=C(\C)CN(CC)CCCC
InChIInChI=1S/C12H25N/c1-5-8-10-13(7-3)11-12(4)9-6-2/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyDMXKVRVBDUSNNS-FMIVXFBMSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-butyl-N-ethyl-2-methylpent-2-en-1-amine?
The IUPAC name of (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine (CID 138716135) is (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine?
The canonical SMILES for (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine is CC/C=C(\C)CN(CC)CCCC.
What is the InChIKey of (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine?
The InChIKey is DMXKVRVBDUSNNS-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-10-13(7-3)11-12(4)9-6-2/h9H,5-8,10-11H2,1-4H3/b12-9+.
What are the key properties of (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine?
(E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-N-ethyl-2-methylpent-2-en-1-amine is sourced from PubChem (CID 138716135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).