2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine

C14H30N2O — CID 166696181

IUPAC2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine
SMILESCCCC(NC)C1CC(NCC(C)C)CCO1
InChIInChI=1S/C14H30N2O/c1-5-6-13(15-4)14-9-12(7-8-17-14)16-10-11(2)3/h11-16H,5-10H2,1-4H3
InChIKeyCAGSQLNQEYZZES-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.17
Rot. Bonds7

About 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine

2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine (PubChem CID 166696181) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine.

Molecular Properties

Compound Name2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine
PubChem CID166696181
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine
SMILESCCCC(NC)C1CC(NCC(C)C)CCO1
InChIInChI=1S/C14H30N2O/c1-5-6-13(15-4)14-9-12(7-8-17-14)16-10-11(2)3/h11-16H,5-10H2,1-4H3
InChIKeyCAGSQLNQEYZZES-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
N-methyl-1-morpholin-2-ylbutan-1-amine
CID 116956402
1-[(2-methyloxan-4-yl)amino]pentan-2-ol
CID 115898430
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
CID 103991084
2-[[(2-propan-2-yloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928884
N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
CID 102904715
N-ethyl-2-(1-methoxypropan-2-yl)oxan-4-amine
CID 116503200
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
CID 66091276
3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105820
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine?
The IUPAC name of 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine (CID 166696181) is 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine.
What is the SMILES notation for 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine?
The canonical SMILES for 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine is CCCC(NC)C1CC(NCC(C)C)CCO1.
What is the InChIKey of 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine?
The InChIKey is CAGSQLNQEYZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-13(15-4)14-9-12(7-8-17-14)16-10-11(2)3/h11-16H,5-10H2,1-4H3.
What are the key properties of 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine?
2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)butyl]-N-(2-methylpropyl)oxan-4-amine is sourced from PubChem (CID 166696181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).