2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine

C13H27NO — CID 144942152

IUPAC2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine
SMILESC=C(NCC(CC)CCC)OC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-9-12(8-2)10-14-11(3)15-13(4,5)6/h12,14H,3,7-10H2,1-2,4-6H3
InChIKeySCVYORYPHPPPKX-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.69
Rot. Bonds7

About 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine

2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine (PubChem CID 144942152) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine
PubChem CID144942152
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine
SMILESC=C(NCC(CC)CCC)OC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-9-12(8-2)10-14-11(3)15-13(4,5)6/h12,14H,3,7-10H2,1-2,4-6H3
InChIKeySCVYORYPHPPPKX-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine?
The IUPAC name of 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine (CID 144942152) is 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine.
What is the SMILES notation for 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine?
The canonical SMILES for 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine is C=C(NCC(CC)CCC)OC(C)(C)C.
What is the InChIKey of 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine?
The InChIKey is SCVYORYPHPPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-9-12(8-2)10-14-11(3)15-13(4,5)6/h12,14H,3,7-10H2,1-2,4-6H3.
What are the key properties of 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine?
2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine is sourced from PubChem (CID 144942152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).