N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine

C14H29NO2 — CID 170573008

IUPACN-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1COC(CC)(CC)O1
InChIInChI=1S/C14H29NO2/c1-4-7-8-10-15-11-9-13-12-16-14(5-2,6-3)17-13/h13,15H,4-12H2,1-3H3
InChIKeyNDGOKISPKCHXFX-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.09
Rot. Bonds9

About N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine

N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine (PubChem CID 170573008) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
PubChem CID170573008
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1COC(CC)(CC)O1
InChIInChI=1S/C14H29NO2/c1-4-7-8-10-15-11-9-13-12-16-14(5-2,6-3)17-13/h13,15H,4-12H2,1-3H3
InChIKeyNDGOKISPKCHXFX-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]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-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine (CID 170573008) is N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine is CCCCCNCCC1COC(CC)(CC)O1.
What is the InChIKey of N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
The InChIKey is NDGOKISPKCHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-8-10-15-11-9-13-12-16-14(5-2,6-3)17-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 170573008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).