N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine

C12H25NO — CID 115837035

IUPACN-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
SMILESCCCCCC(NC)C1CCC(C)O1
InChIInChI=1S/C12H25NO/c1-4-5-6-7-11(13-3)12-9-8-10(2)14-12/h10-13H,4-9H2,1-3H3
InChIKeyXNZAJFYGTWUBLO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds6

About N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine

N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine (PubChem CID 115837035) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
PubChem CID115837035
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
SMILESCCCCCC(NC)C1CCC(C)O1
InChIInChI=1S/C12H25NO/c1-4-5-6-7-11(13-3)12-9-8-10(2)14-12/h10-13H,4-9H2,1-3H3
InChIKeyXNZAJFYGTWUBLO-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
CID 115835493
1-(5-methyloxolan-2-yl)heptylhydrazine
CID 105294090
3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine
CID 104994767
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993527
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837329
4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105054940
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
N-methyl-1-(2-methyloxolan-3-yl)hexan-1-amine
CID 115837016
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828617

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine (CID 115837035) is N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine is CCCCCC(NC)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine?
The InChIKey is XNZAJFYGTWUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-7-11(13-3)12-9-8-10(2)14-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine?
N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine is sourced from PubChem (CID 115837035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).