N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine

C14H29NO2 — CID 171106532

IUPACN-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)/C=C/CCOCCOCCNC(C)C
InChIInChI=1S/C14H29NO2/c1-13(2)7-5-6-9-16-11-12-17-10-8-15-14(3)4/h5,7,13-15H,6,8-12H2,1-4H3/b7-5+
InChIKeyBRPFLANQYSVCEO-FNORWQNLSA-N
MW243.39 g/mol
LogP2.62
Rot. Bonds11

About N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine

N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 171106532) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine
PubChem CID171106532
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)/C=C/CCOCCOCCNC(C)C
InChIInChI=1S/C14H29NO2/c1-13(2)7-5-6-9-16-11-12-17-10-8-15-14(3)4/h5,7,13-15H,6,8-12H2,1-4H3/b7-5+
InChIKeyBRPFLANQYSVCEO-FNORWQNLSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine (CID 171106532) is N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine is CC(C)/C=C/CCOCCOCCNC(C)C.
What is the InChIKey of N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is BRPFLANQYSVCEO-FNORWQNLSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2)7-5-6-9-16-11-12-17-10-8-15-14(3)4/h5,7,13-15H,6,8-12H2,1-4H3/b7-5+.
What are the key properties of N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine?
N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 171106532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).