2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine

C10H19NO — CID 103522671

IUPAC2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine
SMILESCC(C)=CCNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-8(2)4-6-11-10-5-7-12-9(10)3/h4,9-11H,5-7H2,1-3H3
InChIKeyRZUQHNLFFYKNRP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine

2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine (PubChem CID 103522671) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine
PubChem CID103522671
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine
SMILESCC(C)=CCNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-8(2)4-6-11-10-5-7-12-9(10)3/h4,9-11H,5-7H2,1-3H3
InChIKeyRZUQHNLFFYKNRP-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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-[(E)-4-chlorobut-2-enyl]-2-methyloxolan-3-amine
CID 82725775
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
CID 99633545
N-methyl-2-[[(2R,3R)-2-methyloxolan-3-yl]amino]acetamide
CID 130643593
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
(2R)-1-[[(2R,3R)-2-methyloxolan-3-yl]amino]propan-2-ol
CID 97358024
1-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 75525152
2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
CID 104926955
2-methyl-N-propyloxolan-3-amine;hydrochloride
CID 146154013
N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine
CID 115338207
2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
CID 103529246
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine (CID 103522671) is 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine is CC(C)=CCNC1CCOC1C.
What is the InChIKey of 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine?
The InChIKey is RZUQHNLFFYKNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)4-6-11-10-5-7-12-9(10)3/h4,9-11H,5-7H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine?
2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine is sourced from PubChem (CID 103522671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).