N-[2-(2-methylpentoxy)ethyl]pentan-3-amine

C13H29NO — CID 103285771

IUPACN-[2-(2-methylpentoxy)ethyl]pentan-3-amine
SMILESCCCC(C)COCCNC(CC)CC
InChIInChI=1S/C13H29NO/c1-5-8-12(4)11-15-10-9-14-13(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyINLUEGYOBLACJU-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

About N-[2-(2-methylpentoxy)ethyl]pentan-3-amine

N-[2-(2-methylpentoxy)ethyl]pentan-3-amine (PubChem CID 103285771) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-[2-(2-methylpentoxy)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylpentoxy)ethyl]pentan-3-amine
PubChem CID103285771
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-[2-(2-methylpentoxy)ethyl]pentan-3-amine
SMILESCCCC(C)COCCNC(CC)CC
InChIInChI=1S/C13H29NO/c1-5-8-12(4)11-15-10-9-14-13(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyINLUEGYOBLACJU-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylpentoxy)ethyl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylpentoxy)ethyl]butan-1-amine
CID 103285806
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
N-[2-(2-methylbutoxy)ethyl]propan-2-amine
CID 62342211
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
2-(2-methylpentoxy)ethanamine
CID 62343431
N-[3-(2-methylpropoxy)propyl]pentan-3-amine
CID 28681675
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
2-(2-methylpentoxy)ethoxysilane
CID 123408825
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpentoxy)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(2-methylpentoxy)ethyl]pentan-3-amine (CID 103285771) is N-[2-(2-methylpentoxy)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2-methylpentoxy)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(2-methylpentoxy)ethyl]pentan-3-amine is CCCC(C)COCCNC(CC)CC.
What is the InChIKey of N-[2-(2-methylpentoxy)ethyl]pentan-3-amine?
The InChIKey is INLUEGYOBLACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-8-12(4)11-15-10-9-14-13(6-2)7-3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[2-(2-methylpentoxy)ethyl]pentan-3-amine?
N-[2-(2-methylpentoxy)ethyl]pentan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpentoxy)ethyl]pentan-3-amine is sourced from PubChem (CID 103285771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).