N-[(4-ethyloxan-4-yl)methyl]ethanamine

C10H21NO — CID 62907127

IUPACN-[(4-ethyloxan-4-yl)methyl]ethanamine
SMILESCCNCC1(CC)CCOCC1
InChIInChI=1S/C10H21NO/c1-3-10(9-11-4-2)5-7-12-8-6-10/h11H,3-9H2,1-2H3
InChIKeyXYZMKSKSJRSKRL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About N-[(4-ethyloxan-4-yl)methyl]ethanamine

N-[(4-ethyloxan-4-yl)methyl]ethanamine (PubChem CID 62907127) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(4-ethyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethyloxan-4-yl)methyl]ethanamine
PubChem CID62907127
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(4-ethyloxan-4-yl)methyl]ethanamine
SMILESCCNCC1(CC)CCOCC1
InChIInChI=1S/C10H21NO/c1-3-10(9-11-4-2)5-7-12-8-6-10/h11H,3-9H2,1-2H3
InChIKeyXYZMKSKSJRSKRL-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethyloxan-4-yl)methyl]ethanamine 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-[(4-ethyloxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethyloxan-4-yl)methyl]ethanamine (CID 62907127) is N-[(4-ethyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethyloxan-4-yl)methyl]ethanamine is CCNCC1(CC)CCOCC1.
What is the InChIKey of N-[(4-ethyloxan-4-yl)methyl]ethanamine?
The InChIKey is XYZMKSKSJRSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-10(9-11-4-2)5-7-12-8-6-10/h11H,3-9H2,1-2H3.
What are the key properties of N-[(4-ethyloxan-4-yl)methyl]ethanamine?
N-[(4-ethyloxan-4-yl)methyl]ethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 62907127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).