1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine

C10H19NO — CID 177009089

IUPAC1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine
SMILESC=C(CC)C1(CN(C)C)COC1
InChIInChI=1S/C10H19NO/c1-5-9(2)10(6-11(3)4)7-12-8-10/h2,5-8H2,1,3-4H3
InChIKeyCQRIWOJQMBKYCH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.53
Rot. Bonds4

About 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine

1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine (PubChem CID 177009089) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine
PubChem CID177009089
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine
SMILESC=C(CC)C1(CN(C)C)COC1
InChIInChI=1S/C10H19NO/c1-5-9(2)10(6-11(3)4)7-12-8-10/h2,5-8H2,1,3-4H3
InChIKeyCQRIWOJQMBKYCH-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
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 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine (CID 177009089) is 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine is C=C(CC)C1(CN(C)C)COC1.
What is the InChIKey of 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine?
The InChIKey is CQRIWOJQMBKYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(2)10(6-11(3)4)7-12-8-10/h2,5-8H2,1,3-4H3.
What are the key properties of 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine?
1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 177009089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).