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

C13H25NO — CID 104583361

IUPACN-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1(C)CCOCC1
InChIInChI=1S/C13H25NO/c1-4-5-6-12(2)14-11-13(3)7-9-15-10-8-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyHHPPTROBHPEZBJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

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

N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine (PubChem CID 104583361) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine
PubChem CID104583361
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1(C)CCOCC1
InChIInChI=1S/C13H25NO/c1-4-5-6-12(2)14-11-13(3)7-9-15-10-8-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyHHPPTROBHPEZBJ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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

3-Oxa-8-azaspiro(5.6)dodec-10-ene hydrochloride
CID 137928022
3-Oxa-8-azaspiro[5.6]dodec-10-ene
CID 137928023
N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 64313531
N-[1-(oxan-4-yl)ethenyl]propan-2-amine
CID 118390777
N-(2-ethyl-2-methylbut-3-enyl)oxan-4-amine
CID 144399280
2,2-dimethyl-N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 169557764
4-ethenyl-N-(3-methylbut-1-en-2-yl)oxan-3-amine
CID 169859249
N-(oxan-4-ylmethyl)hex-5-en-1-amine
CID 170016283
4-ethyl-6-methoxy-N-methylhex-1-en-3-amine
CID 170267662
6-methoxy-N,4-dimethylhex-1-en-3-amine
CID 170268003
4-(Methoxymethyl)-4-prop-2-enylpiperidine
CID 59312077
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62390954

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine (CID 104583361) is N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCC1(C)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine?
The InChIKey is HHPPTROBHPEZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-12(2)14-11-13(3)7-9-15-10-8-13/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine?
N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104583361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).