N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine

C14H28N2O — CID 55052074

IUPACN-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine
SMILESCNCC1(CN(C)C2CCOCC2)CCCC1
InChIInChI=1S/C14H28N2O/c1-15-11-14(7-3-4-8-14)12-16(2)13-5-9-17-10-6-13/h13,15H,3-12H2,1-2H3
InChIKeyJAJMVOQAAIXCFL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine

N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine (PubChem CID 55052074) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine
PubChem CID55052074
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine
SMILESCNCC1(CN(C)C2CCOCC2)CCCC1
InChIInChI=1S/C14H28N2O/c1-15-11-14(7-3-4-8-14)12-16(2)13-5-9-17-10-6-13/h13,15H,3-12H2,1-2H3
InChIKeyJAJMVOQAAIXCFL-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine (CID 55052074) is N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine is CNCC1(CN(C)C2CCOCC2)CCCC1.
What is the InChIKey of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
The InChIKey is JAJMVOQAAIXCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-11-14(7-3-4-8-14)12-16(2)13-5-9-17-10-6-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxan-4-amine is sourced from PubChem (CID 55052074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).