N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine

C14H27NO2 — CID 103991387

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine
SMILESC=C(C)COCCNC1CCOC(CCC)C1
InChIInChI=1S/C14H27NO2/c1-4-5-14-10-13(6-8-17-14)15-7-9-16-11-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyFPVDEKYNNFZITH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.52
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine (PubChem CID 103991387) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine
PubChem CID103991387
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine
SMILESC=C(C)COCCNC1CCOC(CCC)C1
InChIInChI=1S/C14H27NO2/c1-4-5-14-10-13(6-8-17-14)15-7-9-16-11-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyFPVDEKYNNFZITH-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine
CID 134408104
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CID 56830000
2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
N-(2-ethoxyethyl)-2-propyloxan-4-amine
CID 64097624
N-(2-butoxyethyl)-2-propyloxan-4-amine
CID 64102642
N-(1-ethoxypropan-2-yl)-2-propyloxan-4-amine
CID 64103493
N-(1-methoxypropan-2-yl)-2-propyloxan-4-amine
CID 64104595
N-(2-methoxyethyl)-2-propyloxan-4-amine
CID 64106518
N-(1-methoxybutan-2-yl)-2-propyloxan-4-amine
CID 64410819
N-(1-methoxypentan-2-yl)-2-propyloxan-4-amine
CID 64411908
1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine
CID 66038531

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine (CID 103991387) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine is C=C(C)COCCNC1CCOC(CCC)C1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine?
The InChIKey is FPVDEKYNNFZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-14-10-13(6-8-17-14)15-7-9-16-11-12(2)3/h13-15H,2,4-11H2,1,3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine has a molecular weight of 241.37 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 103991387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).