N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine

C13H27NO — CID 107893426

IUPACN-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
SMILESCCCC(C)C(NCC)C1OCCC1C
InChIInChI=1S/C13H27NO/c1-5-7-10(3)12(14-6-2)13-11(4)8-9-15-13/h10-14H,5-9H2,1-4H3
InChIKeyOPRYTXDLUWTDOD-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine

N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine (PubChem CID 107893426) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
PubChem CID107893426
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
SMILESCCCC(C)C(NCC)C1OCCC1C
InChIInChI=1S/C13H27NO/c1-5-7-10(3)12(14-6-2)13-11(4)8-9-15-13/h10-14H,5-9H2,1-4H3
InChIKeyOPRYTXDLUWTDOD-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine (CID 107893426) is N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine is CCCC(C)C(NCC)C1OCCC1C.
What is the InChIKey of N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The InChIKey is OPRYTXDLUWTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-10(3)12(14-6-2)13-11(4)8-9-15-13/h10-14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 107893426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).