N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine

C12H25NO — CID 87106385

IUPACN,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine
SMILESC/C=C(/CC)OCCCN(CC)CC
InChIInChI=1S/C12H25NO/c1-5-12(6-2)14-11-9-10-13(7-3)8-4/h5H,6-11H2,1-4H3/b12-5-
InChIKeyHDCBZTQJEMOQCJ-XGICHPGQSA-N
MW199.34 g/mol
LogP3.05
Rot. Bonds8

About N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine

N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine (PubChem CID 87106385) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine
PubChem CID87106385
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine
SMILESC/C=C(/CC)OCCCN(CC)CC
InChIInChI=1S/C12H25NO/c1-5-12(6-2)14-11-9-10-13(7-3)8-4/h5H,6-11H2,1-4H3/b12-5-
InChIKeyHDCBZTQJEMOQCJ-XGICHPGQSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine?
The IUPAC name of N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine (CID 87106385) is N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine is C/C=C(/CC)OCCCN(CC)CC.
What is the InChIKey of N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine?
The InChIKey is HDCBZTQJEMOQCJ-XGICHPGQSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(6-2)14-11-9-10-13(7-3)8-4/h5H,6-11H2,1-4H3/b12-5-.
What are the key properties of N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine?
N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine is sourced from PubChem (CID 87106385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).