5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine

C10H21NO — CID 142001478

IUPAC5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine
SMILESC/C=C(\C)OCCCCCNC
InChIInChI=1S/C10H21NO/c1-4-10(2)12-9-7-5-6-8-11-3/h4,11H,5-9H2,1-3H3/b10-4+
InChIKeyKYMLTXCYUXTEFO-ONNFQVAWSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds7

About 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine

5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine (PubChem CID 142001478) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine
PubChem CID142001478
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine
SMILESC/C=C(\C)OCCCCCNC
InChIInChI=1S/C10H21NO/c1-4-10(2)12-9-7-5-6-8-11-3/h4,11H,5-9H2,1-3H3/b10-4+
InChIKeyKYMLTXCYUXTEFO-ONNFQVAWSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
CID 177319970
N-[(E)-but-2-enyl]-5-methoxypentan-1-amine
CID 105934462

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine?
The IUPAC name of 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine (CID 142001478) is 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine is C/C=C(\C)OCCCCCNC.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine?
The InChIKey is KYMLTXCYUXTEFO-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(2)12-9-7-5-6-8-11-3/h4,11H,5-9H2,1-3H3/b10-4+.
What are the key properties of 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine?
5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine is sourced from PubChem (CID 142001478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).