N-but-2-enyl-N-methyloxan-4-amine

C10H19NO — CID 123376411

IUPACN-but-2-enyl-N-methyloxan-4-amine
SMILESCC=CCN(C)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-4-7-11(2)10-5-8-12-9-6-10/h3-4,10H,5-9H2,1-2H3
InChIKeyWYAYRADIDIAEFF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About N-but-2-enyl-N-methyloxan-4-amine

N-but-2-enyl-N-methyloxan-4-amine (PubChem CID 123376411) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-but-2-enyl-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-but-2-enyl-N-methyloxan-4-amine
PubChem CID123376411
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-but-2-enyl-N-methyloxan-4-amine
SMILESCC=CCN(C)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-4-7-11(2)10-5-8-12-9-6-10/h3-4,10H,5-9H2,1-2H3
InChIKeyWYAYRADIDIAEFF-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-N-prop-2-enyloxan-4-amine
CID 21034309
N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
CID 21034321
N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine
CID 130331342
N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine
CID 135172010
N-but-3-en-2-yl-N-ethyloxan-4-amine
CID 135183299
N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine
CID 137484876
N-(2,3-dimethylbut-2-enyl)-N-methyloxan-4-amine
CID 139353040
ethane;N-ethyl-N-[(Z)-prop-1-enyl]oxan-4-amine
CID 144460653
N-ethyl-N-(4-methylpenta-1,3-dien-3-yl)oxan-4-amine
CID 144610740
N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
CID 163516266
3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine
CID 167137313
N-[(3S)-hex-5-en-3-yl]-N-(2-methylpropyl)oxan-4-amine
CID 173766431

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N-methyloxan-4-amine?
The IUPAC name of N-but-2-enyl-N-methyloxan-4-amine (CID 123376411) is N-but-2-enyl-N-methyloxan-4-amine.
What is the SMILES notation for N-but-2-enyl-N-methyloxan-4-amine?
The canonical SMILES for N-but-2-enyl-N-methyloxan-4-amine is CC=CCN(C)C1CCOCC1.
What is the InChIKey of N-but-2-enyl-N-methyloxan-4-amine?
The InChIKey is WYAYRADIDIAEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-7-11(2)10-5-8-12-9-6-10/h3-4,10H,5-9H2,1-2H3.
What are the key properties of N-but-2-enyl-N-methyloxan-4-amine?
N-but-2-enyl-N-methyloxan-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N-methyloxan-4-amine is sourced from PubChem (CID 123376411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).