N-ethyl-1-(oxan-4-yl)pentan-2-amine

C12H25NO — CID 62602752

IUPACN-ethyl-1-(oxan-4-yl)pentan-2-amine
SMILESCCCC(CC1CCOCC1)NCC
InChIInChI=1S/C12H25NO/c1-3-5-12(13-4-2)10-11-6-8-14-9-7-11/h11-13H,3-10H2,1-2H3
InChIKeyDGVZYTHUMQSQTI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-ethyl-1-(oxan-4-yl)pentan-2-amine

N-ethyl-1-(oxan-4-yl)pentan-2-amine (PubChem CID 62602752) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)pentan-2-amine
PubChem CID62602752
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-1-(oxan-4-yl)pentan-2-amine
SMILESCCCC(CC1CCOCC1)NCC
InChIInChI=1S/C12H25NO/c1-3-5-12(13-4-2)10-11-6-8-14-9-7-11/h11-13H,3-10H2,1-2H3
InChIKeyDGVZYTHUMQSQTI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze N-ethyl-1-(oxan-4-yl)pentan-2-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-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(oxan-4-yl)pentan-2-amine (CID 62602752) is N-ethyl-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)pentan-2-amine is CCCC(CC1CCOCC1)NCC.
What is the InChIKey of N-ethyl-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is DGVZYTHUMQSQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-12(13-4-2)10-11-6-8-14-9-7-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-4-yl)pentan-2-amine?
N-ethyl-1-(oxan-4-yl)pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 62602752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).