N-methyl-1-(oxan-4-yl)hexan-2-amine

C12H25NO — CID 79404472

IUPACN-methyl-1-(oxan-4-yl)hexan-2-amine
SMILESCCCCC(CC1CCOCC1)NC
InChIInChI=1S/C12H25NO/c1-3-4-5-12(13-2)10-11-6-8-14-9-7-11/h11-13H,3-10H2,1-2H3
InChIKeyPCADIXYQDJKQSK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-1-(oxan-4-yl)hexan-2-amine

N-methyl-1-(oxan-4-yl)hexan-2-amine (PubChem CID 79404472) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)hexan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)hexan-2-amine
PubChem CID79404472
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-1-(oxan-4-yl)hexan-2-amine
SMILESCCCCC(CC1CCOCC1)NC
InChIInChI=1S/C12H25NO/c1-3-4-5-12(13-2)10-11-6-8-14-9-7-11/h11-13H,3-10H2,1-2H3
InChIKeyPCADIXYQDJKQSK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)hexan-2-amine?
The IUPAC name of N-methyl-1-(oxan-4-yl)hexan-2-amine (CID 79404472) is N-methyl-1-(oxan-4-yl)hexan-2-amine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)hexan-2-amine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)hexan-2-amine is CCCCC(CC1CCOCC1)NC.
What is the InChIKey of N-methyl-1-(oxan-4-yl)hexan-2-amine?
The InChIKey is PCADIXYQDJKQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-12(13-2)10-11-6-8-14-9-7-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-(oxan-4-yl)hexan-2-amine?
N-methyl-1-(oxan-4-yl)hexan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)hexan-2-amine is sourced from PubChem (CID 79404472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).