2,2-diethyl-N-pent-4-enyloxan-4-amine

C14H27NO — CID 83033007

IUPAC2,2-diethyl-N-pent-4-enyloxan-4-amine
SMILESC=CCCCNC1CCOC(CC)(CC)C1
InChIInChI=1S/C14H27NO/c1-4-7-8-10-15-13-9-11-16-14(5-2,6-3)12-13/h4,13,15H,1,5-12H2,2-3H3
InChIKeyBPWBUPCNLHFWAP-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About 2,2-diethyl-N-pent-4-enyloxan-4-amine

2,2-diethyl-N-pent-4-enyloxan-4-amine (PubChem CID 83033007) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,2-diethyl-N-pent-4-enyloxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-pent-4-enyloxan-4-amine
PubChem CID83033007
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,2-diethyl-N-pent-4-enyloxan-4-amine
SMILESC=CCCCNC1CCOC(CC)(CC)C1
InChIInChI=1S/C14H27NO/c1-4-7-8-10-15-13-9-11-16-14(5-2,6-3)12-13/h4,13,15H,1,5-12H2,2-3H3
InChIKeyBPWBUPCNLHFWAP-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 2,2-diethyl-N-pent-4-enyloxan-4-amine?
The IUPAC name of 2,2-diethyl-N-pent-4-enyloxan-4-amine (CID 83033007) is 2,2-diethyl-N-pent-4-enyloxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-pent-4-enyloxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-pent-4-enyloxan-4-amine is C=CCCCNC1CCOC(CC)(CC)C1.
What is the InChIKey of 2,2-diethyl-N-pent-4-enyloxan-4-amine?
The InChIKey is BPWBUPCNLHFWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-7-8-10-15-13-9-11-16-14(5-2,6-3)12-13/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of 2,2-diethyl-N-pent-4-enyloxan-4-amine?
2,2-diethyl-N-pent-4-enyloxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-pent-4-enyloxan-4-amine is sourced from PubChem (CID 83033007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).