N-but-3-enyl-N-ethylpentan-3-amine

C11H23N — CID 547451

IUPACN-but-3-enyl-N-ethylpentan-3-amine
SMILESC=CCCN(CC)C(CC)CC
InChIInChI=1S/C11H23N/c1-5-9-10-12(8-4)11(6-2)7-3/h5,11H,1,6-10H2,2-4H3
InChIKeyRTQHYYPIRYETGA-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds7

About N-but-3-enyl-N-ethylpentan-3-amine

N-but-3-enyl-N-ethylpentan-3-amine (PubChem CID 547451) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-but-3-enyl-N-ethylpentan-3-amine.

Molecular Properties

Compound NameN-but-3-enyl-N-ethylpentan-3-amine
PubChem CID547451
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-but-3-enyl-N-ethylpentan-3-amine
SMILESC=CCCN(CC)C(CC)CC
InChIInChI=1S/C11H23N/c1-5-9-10-12(8-4)11(6-2)7-3/h5,11H,1,6-10H2,2-4H3
InChIKeyRTQHYYPIRYETGA-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-ethylpentan-3-amine?
The IUPAC name of N-but-3-enyl-N-ethylpentan-3-amine (CID 547451) is N-but-3-enyl-N-ethylpentan-3-amine.
What is the SMILES notation for N-but-3-enyl-N-ethylpentan-3-amine?
The canonical SMILES for N-but-3-enyl-N-ethylpentan-3-amine is C=CCCN(CC)C(CC)CC.
What is the InChIKey of N-but-3-enyl-N-ethylpentan-3-amine?
The InChIKey is RTQHYYPIRYETGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-9-10-12(8-4)11(6-2)7-3/h5,11H,1,6-10H2,2-4H3.
What are the key properties of N-but-3-enyl-N-ethylpentan-3-amine?
N-but-3-enyl-N-ethylpentan-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-ethylpentan-3-amine is sourced from PubChem (CID 547451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).