N-(2-propan-2-yloxyethyl)prop-1-en-2-amine

C8H17NO — CID 142343518

IUPACN-(2-propan-2-yloxyethyl)prop-1-en-2-amine
SMILESC=C(C)NCCOC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)9-5-6-10-8(3)4/h8-9H,1,5-6H2,2-4H3
InChIKeyBOHPXODRKNELIX-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.53
Rot. Bonds5

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

N-(2-propan-2-yloxyethyl)prop-1-en-2-amine (PubChem CID 142343518) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)prop-1-en-2-amine
PubChem CID142343518
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(2-propan-2-yloxyethyl)prop-1-en-2-amine
SMILESC=C(C)NCCOC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)9-5-6-10-8(3)4/h8-9H,1,5-6H2,2-4H3
InChIKeyBOHPXODRKNELIX-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-propan-2-yloxyethyl)prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)prop-1-en-2-amine (CID 142343518) is N-(2-propan-2-yloxyethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)prop-1-en-2-amine is C=C(C)NCCOC(C)C.
What is the InChIKey of N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
The InChIKey is BOHPXODRKNELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9-5-6-10-8(3)4/h8-9H,1,5-6H2,2-4H3.
What are the key properties of N-(2-propan-2-yloxyethyl)prop-1-en-2-amine?
N-(2-propan-2-yloxyethyl)prop-1-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)prop-1-en-2-amine is sourced from PubChem (CID 142343518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).