N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine

C9H19NO — CID 62597990

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOC(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-10-7-8-11-9(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyHPEVUYPAYZTAAS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds5

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine (PubChem CID 62597990) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine
PubChem CID62597990
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOC(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-10-7-8-11-9(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyHPEVUYPAYZTAAS-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
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 N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine (CID 62597990) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine is C=CCNCCOC(C)(C)C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine?
The InChIKey is HPEVUYPAYZTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-10-7-8-11-9(2,3)4/h5,10H,1,6-8H2,2-4H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62597990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).