N-[4-(2-methoxyethoxy)butyl]pentan-3-amine

C12H27NO2 — CID 115715449

IUPACN-[4-(2-methoxyethoxy)butyl]pentan-3-amine
SMILESCCC(CC)NCCCCOCCOC
InChIInChI=1S/C12H27NO2/c1-4-12(5-2)13-8-6-7-9-15-11-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyIEKJFZMCJLLMBL-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds11

About N-[4-(2-methoxyethoxy)butyl]pentan-3-amine

N-[4-(2-methoxyethoxy)butyl]pentan-3-amine (PubChem CID 115715449) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]pentan-3-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]pentan-3-amine
PubChem CID115715449
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-[4-(2-methoxyethoxy)butyl]pentan-3-amine
SMILESCCC(CC)NCCCCOCCOC
InChIInChI=1S/C12H27NO2/c1-4-12(5-2)13-8-6-7-9-15-11-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyIEKJFZMCJLLMBL-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1,8-bis(2-methoxyethoxy)octane
CID 143118909
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
N-[3-(2-methylpropoxy)propyl]pentan-3-amine
CID 28681675
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]pentan-3-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]pentan-3-amine (CID 115715449) is N-[4-(2-methoxyethoxy)butyl]pentan-3-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]pentan-3-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]pentan-3-amine is CCC(CC)NCCCCOCCOC.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]pentan-3-amine?
The InChIKey is IEKJFZMCJLLMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-12(5-2)13-8-6-7-9-15-11-10-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[4-(2-methoxyethoxy)butyl]pentan-3-amine?
N-[4-(2-methoxyethoxy)butyl]pentan-3-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]pentan-3-amine is sourced from PubChem (CID 115715449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).