N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine

C13H27NO — CID 91029644

IUPACN-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCC1(C)COC(CC)C1
InChIInChI=1S/C13H27NO/c1-5-7-11(3)14-9-13(4)8-12(6-2)15-10-13/h11-12,14H,5-10H2,1-4H3
InChIKeyPMBJSCGSLZOMBW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine

N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine (PubChem CID 91029644) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine
PubChem CID91029644
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCC1(C)COC(CC)C1
InChIInChI=1S/C13H27NO/c1-5-7-11(3)14-9-13(4)8-12(6-2)15-10-13/h11-12,14H,5-10H2,1-4H3
InChIKeyPMBJSCGSLZOMBW-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine (CID 91029644) is N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine is CCCC(C)NCC1(C)COC(CC)C1.
What is the InChIKey of N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine?
The InChIKey is PMBJSCGSLZOMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-11(3)14-9-13(4)8-12(6-2)15-10-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine?
N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 91029644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).