(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine

C14H29NO — CID 156566763

IUPAC(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)COC/C=C/CCN(C)CC(C)C
InChIInChI=1S/C14H29NO/c1-13(2)11-15(5)9-7-6-8-10-16-12-14(3)4/h6,8,13-14H,7,9-12H2,1-5H3/b8-6+
InChIKeyBBJRONNMPLHENZ-SOFGYWHQSA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds9

About (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine

(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 156566763) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID156566763
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)COC/C=C/CCN(C)CC(C)C
InChIInChI=1S/C14H29NO/c1-13(2)11-15(5)9-7-6-8-10-16-12-14(3)4/h6,8,13-14H,7,9-12H2,1-5H3/b8-6+
InChIKeyBBJRONNMPLHENZ-SOFGYWHQSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine (CID 156566763) is (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine is CC(C)COC/C=C/CCN(C)CC(C)C.
What is the InChIKey of (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is BBJRONNMPLHENZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2)11-15(5)9-7-6-8-10-16-12-14(3)4/h6,8,13-14H,7,9-12H2,1-5H3/b8-6+.
What are the key properties of (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine?
(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 156566763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).