N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine

C13H25NO2 — CID 104583482

IUPACN-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1(OC)CCOCC1
InChIInChI=1S/C13H25NO2/c1-4-5-6-12(2)14-11-13(15-3)7-9-16-10-8-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyXUVFAZWLXVFGGE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds7

About N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine

N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine (PubChem CID 104583482) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine
PubChem CID104583482
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1(OC)CCOCC1
InChIInChI=1S/C13H25NO2/c1-4-5-6-12(2)14-11-13(15-3)7-9-16-10-8-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyXUVFAZWLXVFGGE-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
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CID 70214828
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CID 70503385
(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
CID 90727869
(2R)-2-ethyl-2-prop-2-enylmorpholine
CID 146327256
N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine
CID 146476253
N-[(4-ethoxyoxan-4-yl)methyl]propan-2-amine
CID 146535465
4-ethenyl-N-(3-methylbut-1-en-2-yl)oxan-3-amine
CID 169859249
N-pent-4-enyloxan-3-amine
CID 64313077
N-ethyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 65589809
1-(oxan-4-yl)-N-propylprop-2-en-1-amine
CID 65589811
2-Ethyl-2,3-bis(prop-2-enyl)morpholine
CID 70503386

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine (CID 104583482) is N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCC1(OC)CCOCC1.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine?
The InChIKey is XUVFAZWLXVFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-6-12(2)14-11-13(15-3)7-9-16-10-8-13/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine?
N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104583482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).