N-(3-methylbut-2-enyl)oxan-3-amine

C10H19NO — CID 103832850

IUPACN-(3-methylbut-2-enyl)oxan-3-amine
SMILESCC(C)=CCNC1CCCOC1
InChIInChI=1S/C10H19NO/c1-9(2)5-6-11-10-4-3-7-12-8-10/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyNFHUPSCVSAHXOH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About N-(3-methylbut-2-enyl)oxan-3-amine

N-(3-methylbut-2-enyl)oxan-3-amine (PubChem CID 103832850) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)oxan-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)oxan-3-amine
PubChem CID103832850
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(3-methylbut-2-enyl)oxan-3-amine
SMILESCC(C)=CCNC1CCCOC1
InChIInChI=1S/C10H19NO/c1-9(2)5-6-11-10-4-3-7-12-8-10/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyNFHUPSCVSAHXOH-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-but-3-enyloxan-3-amine
CID 64313076
Ethane;3-(2-methylprop-2-enyl)morpholine
CID 145307292
(3S)-3-[(E)-hex-3-en-3-yl]morpholine
CID 167197426
(3S)-3-[(4-methyl-1,2,3,6-tetrahydropyridin-6-yl)methyl]morpholine
CID 169934655
(E)-3-methyl-4-(oxan-3-ylamino)but-2-en-1-ol
CID 173530605
(E)-2-methyl-4-(oxan-3-ylamino)but-2-en-1-ol
CID 173530609
(Z)-2-methyl-4-(oxan-3-ylamino)but-2-en-1-ol
CID 173530615
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
N-(2-butoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61170311
N-(1-ethoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61821306
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
1-(3-methylbut-2-enyl)-N-(oxan-3-yl)piperidin-4-amine
CID 63360021

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)oxan-3-amine?
The IUPAC name of N-(3-methylbut-2-enyl)oxan-3-amine (CID 103832850) is N-(3-methylbut-2-enyl)oxan-3-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)oxan-3-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)oxan-3-amine is CC(C)=CCNC1CCCOC1.
What is the InChIKey of N-(3-methylbut-2-enyl)oxan-3-amine?
The InChIKey is NFHUPSCVSAHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-6-11-10-4-3-7-12-8-10/h5,10-11H,3-4,6-8H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)oxan-3-amine?
N-(3-methylbut-2-enyl)oxan-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 N-(3-methylbut-2-enyl)oxan-3-amine is sourced from PubChem (CID 103832850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).