N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine

C13H25NO — CID 105004925

IUPACN,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine
SMILESCNC(C=C(C)C)CCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-11(2)10-12(14-3)7-8-13-6-4-5-9-15-13/h10,12-14H,4-9H2,1-3H3
InChIKeyIYFRDAQTRNDJBY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds5

About N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine

N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine (PubChem CID 105004925) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine
PubChem CID105004925
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine
SMILESCNC(C=C(C)C)CCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-11(2)10-12(14-3)7-8-13-6-4-5-9-15-13/h10,12-14H,4-9H2,1-3H3
InChIKeyIYFRDAQTRNDJBY-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
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

5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine
CID 105004924
[4-methyl-1-(oxan-2-yl)pent-3-en-2-yl]hydrazine
CID 105267573
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
[4-methyl-1-(oxolan-2-yl)pent-3-en-2-yl]hydrazine
CID 105198774
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine?
The IUPAC name of N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine (CID 105004925) is N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine?
The canonical SMILES for N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine is CNC(C=C(C)C)CCC1CCCCO1.
What is the InChIKey of N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine?
The InChIKey is IYFRDAQTRNDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)10-12(14-3)7-8-13-6-4-5-9-15-13/h10,12-14H,4-9H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine?
N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine is sourced from PubChem (CID 105004925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).