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

C10H19NO — CID 114472567

IUPAC3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine
SMILESC=C(C)CCNC1(C)CCOC1
InChIInChI=1S/C10H19NO/c1-9(2)4-6-11-10(3)5-7-12-8-10/h11H,1,4-8H2,2-3H3
InChIKeyMPTWZXJIHMXKCE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

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

3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine (PubChem CID 114472567) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine
PubChem CID114472567
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine
SMILESC=C(C)CCNC1(C)CCOC1
InChIInChI=1S/C10H19NO/c1-9(2)4-6-11-10(3)5-7-12-8-10/h11H,1,4-8H2,2-3H3
InChIKeyMPTWZXJIHMXKCE-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
The IUPAC name of 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine (CID 114472567) is 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine.
What is the SMILES notation for 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
The canonical SMILES for 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine is C=C(C)CCNC1(C)CCOC1.
What is the InChIKey of 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
The InChIKey is MPTWZXJIHMXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)4-6-11-10(3)5-7-12-8-10/h11H,1,4-8H2,2-3H3.
What are the key properties of 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine?
3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbut-3-enyl)oxolan-3-amine is sourced from PubChem (CID 114472567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).