2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine

C11H21NO — CID 102640424

IUPAC2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CCC1CCCO1
InChIInChI=1S/C11H21NO/c1-3-11(2,9-12)7-6-10-5-4-8-13-10/h3,10H,1,4-9,12H2,2H3
InChIKeyAOOFXVAFAUYQTQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds5

About 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine

2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine (PubChem CID 102640424) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
PubChem CID102640424
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CCC1CCCO1
InChIInChI=1S/C11H21NO/c1-3-11(2,9-12)7-6-10-5-4-8-13-10/h3,10H,1,4-9,12H2,2H3
InChIKeyAOOFXVAFAUYQTQ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-(oxolan-2-yl)butan-1-amine
CID 65166080
2-Ethenyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640360
2-[(5,5-Dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640364
2-Methyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640373
2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640538
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640543
N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640552
N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640600
2-ethenyl-N-ethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640707
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712
N-ethyl-2-methyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640720
N-ethyl-2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine (CID 102640424) is 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine is C=CC(C)(CN)CCC1CCCO1.
What is the InChIKey of 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The InChIKey is AOOFXVAFAUYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-11(2,9-12)7-6-10-5-4-8-13-10/h3,10H,1,4-9,12H2,2H3.
What are the key properties of 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).