N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine

C20H41NO2 — CID 169214572

IUPACN-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine
SMILESC=C(NCCCCCOCCOCCCCCC(C)C)C(C)C
InChIInChI=1S/C20H41NO2/c1-18(2)12-8-6-10-14-22-16-17-23-15-11-7-9-13-21-20(5)19(3)4/h18-19,21H,5-17H2,1-4H3
InChIKeyDTUQEENYXWBVAV-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.17
Rot. Bonds17

About N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine

N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine (PubChem CID 169214572) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine
PubChem CID169214572
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC NameN-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine
SMILESC=C(NCCCCCOCCOCCCCCC(C)C)C(C)C
InChIInChI=1S/C20H41NO2/c1-18(2)12-8-6-10-14-22-16-17-23-15-11-7-9-13-21-20(5)19(3)4/h18-19,21H,5-17H2,1-4H3
InChIKeyDTUQEENYXWBVAV-UHFFFAOYSA-N
XLogP5.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]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-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine (CID 169214572) is N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine is C=C(NCCCCCOCCOCCCCCC(C)C)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine?
The InChIKey is DTUQEENYXWBVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-18(2)12-8-6-10-14-22-16-17-23-15-11-7-9-13-21-20(5)19(3)4/h18-19,21H,5-17H2,1-4H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine?
N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine has a molecular weight of 327.55 g/mol, XLogP of 5.17, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)-5-[2-(6-methylheptoxy)ethoxy]pentan-1-amine is sourced from PubChem (CID 169214572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).