N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine

C12H25NO — CID 62548267

IUPACN-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine
SMILESCCCC(CNCC)CC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-6-11(10-13-4-2)9-12-7-5-8-14-12/h11-13H,3-10H2,1-2H3
InChIKeyLJUJUMBWILCGNU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

About N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine

N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine (PubChem CID 62548267) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine
PubChem CID62548267
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine
SMILESCCCC(CNCC)CC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-6-11(10-13-4-2)9-12-7-5-8-14-12/h11-13H,3-10H2,1-2H3
InChIKeyLJUJUMBWILCGNU-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine (CID 62548267) is N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine is CCCC(CNCC)CC1CCCO1.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine?
The InChIKey is LJUJUMBWILCGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-6-11(10-13-4-2)9-12-7-5-8-14-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine?
N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 62548267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).