N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine

C13H25NO — CID 63842970

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCC1CCC=CO1
InChIInChI=1S/C13H25NO/c1-4-12(5-2)11(3)14-10-13-8-6-7-9-15-13/h7,9,11-14H,4-6,8,10H2,1-3H3
InChIKeyHXGXDHODIZWHJG-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.09
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine (PubChem CID 63842970) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine
PubChem CID63842970
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCC1CCC=CO1
InChIInChI=1S/C13H25NO/c1-4-12(5-2)11(3)14-10-13-8-6-7-9-15-13/h7,9,11-14H,4-6,8,10H2,1-3H3
InChIKeyHXGXDHODIZWHJG-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-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-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine (CID 63842970) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine is CCC(CC)C(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine?
The InChIKey is HXGXDHODIZWHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12(5-2)11(3)14-10-13-8-6-7-9-15-13/h7,9,11-14H,4-6,8,10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine is sourced from PubChem (CID 63842970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).