molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine

C8H19NO — CID 142343517

IUPACmolecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine
SMILESC=C(C)NCCOC(C)C.[H][H]
InChIInChI=1S/C8H17NO.H2/c1-7(2)9-5-6-10-8(3)4;/h8-9H,1,5-6H2,2-4H3;1H
InChIKeyGPJQCBYKPWCGON-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.78
Rot. Bonds5

About molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine

molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine (PubChem CID 142343517) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine
PubChem CID142343517
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Namemolecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine
SMILESC=C(C)NCCOC(C)C.[H][H]
InChIInChI=1S/C8H17NO.H2/c1-7(2)9-5-6-10-8(3)4;/h8-9H,1,5-6H2,2-4H3;1H
InChIKeyGPJQCBYKPWCGON-UHFFFAOYSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
The IUPAC name of molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine (CID 142343517) is molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine.
What is the SMILES notation for molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
The canonical SMILES for molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine is C=C(C)NCCOC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
The InChIKey is GPJQCBYKPWCGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.H2/c1-7(2)9-5-6-10-8(3)4;/h8-9H,1,5-6H2,2-4H3;1H.
What are the key properties of molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine has a molecular weight of 145.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine is sourced from PubChem (CID 142343517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).