2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine

C11H21NO — CID 103581292

IUPAC2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine
SMILESC=C(C)CCNC1(C)CCOC1C
InChIInChI=1S/C11H21NO/c1-9(2)5-7-12-11(4)6-8-13-10(11)3/h10,12H,1,5-8H2,2-4H3
InChIKeyIPGQDAWTLWEWHG-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine

2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine (PubChem CID 103581292) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine
PubChem CID103581292
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine
SMILESC=C(C)CCNC1(C)CCOC1C
InChIInChI=1S/C11H21NO/c1-9(2)5-7-12-11(4)6-8-13-10(11)3/h10,12H,1,5-8H2,2-4H3
InChIKeyIPGQDAWTLWEWHG-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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

N-(2-cyclopentyloxyethyl)-2-methylidenebutan-1-amine
CID 66045707
2-methylidene-N-(oxolan-2-ylmethyl)butan-1-amine
CID 66046645
2-methyl-N-pent-4-enyloxolan-3-amine
CID 82725683
2-methyl-N-(2-methylidenebutyl)oxolan-3-amine
CID 82725869
2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine
CID 82726390
2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine
CID 103578792
2,3-dimethyl-N-prop-2-enyloxolan-3-amine
CID 103581084
N-butyl-2,3-dimethyloxolan-3-amine
CID 103581148
N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine
CID 103581164
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine
CID 103581211
2,3-dimethyl-N-pent-4-enyloxolan-3-amine
CID 103581245

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine (CID 103581292) is 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine is C=C(C)CCNC1(C)CCOC1C.
What is the InChIKey of 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
The InChIKey is IPGQDAWTLWEWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)5-7-12-11(4)6-8-13-10(11)3/h10,12H,1,5-8H2,2-4H3.
What are the key properties of 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylbut-3-enyl)oxolan-3-amine is sourced from PubChem (CID 103581292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).