N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine

C12H27NO2 — CID 62565008

IUPACN-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OCCOCC
InChIInChI=1S/C12H27NO2/c1-4-6-7-8-13-11-12(3)15-10-9-14-5-2/h12-13H,4-11H2,1-3H3
InChIKeyWPQVAYJKBFFUJN-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds11

About N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine

N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine (PubChem CID 62565008) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
PubChem CID62565008
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OCCOCC
InChIInChI=1S/C12H27NO2/c1-4-6-7-8-13-11-12(3)15-10-9-14-5-2/h12-13H,4-11H2,1-3H3
InChIKeyWPQVAYJKBFFUJN-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-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
CID 62583063
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 106668147
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine?
The IUPAC name of N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine (CID 62565008) is N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine is CCCCCNCC(C)OCCOCC.
What is the InChIKey of N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine?
The InChIKey is WPQVAYJKBFFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-6-7-8-13-11-12(3)15-10-9-14-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine?
N-[2-(2-ethoxyethoxy)propyl]pentan-1-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-[2-(2-ethoxyethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 62565008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).