2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine

C16H31NO2 — CID 55066245

IUPAC2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(OCC2CCOCC2)CCCC1
InChIInChI=1S/C16H31NO2/c1-15(2,3)17-13-16(8-4-5-9-16)19-12-14-6-10-18-11-7-14/h14,17H,4-13H2,1-3H3
InChIKeyJUNXMHAXBXCOQG-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine (PubChem CID 55066245) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
PubChem CID55066245
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(OCC2CCOCC2)CCCC1
InChIInChI=1S/C16H31NO2/c1-15(2,3)17-13-16(8-4-5-9-16)19-12-14-6-10-18-11-7-14/h14,17H,4-13H2,1-3H3
InChIKeyJUNXMHAXBXCOQG-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine (CID 55066245) is 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine is CC(C)(C)NCC1(OCC2CCOCC2)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine?
The InChIKey is JUNXMHAXBXCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,3)17-13-16(8-4-5-9-16)19-12-14-6-10-18-11-7-14/h14,17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 55066245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).