N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine

C13H25NO — CID 80683843

IUPACN-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NC)C1(C)CCCCO1
InChIInChI=1S/C13H25NO/c1-4-5-6-9-12(14-3)13(2)10-7-8-11-15-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyFMCIEIJAKVTSSD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds6

About N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine

N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine (PubChem CID 80683843) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine
PubChem CID80683843
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NC)C1(C)CCCCO1
InChIInChI=1S/C13H25NO/c1-4-5-6-9-12(14-3)13(2)10-7-8-11-15-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyFMCIEIJAKVTSSD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine (CID 80683843) is N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine is C=CCCCC(NC)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine?
The InChIKey is FMCIEIJAKVTSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-9-12(14-3)13(2)10-7-8-11-15-13/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine?
N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 80683843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).