N-[2-(2-methoxyethoxy)propyl]pentan-3-amine

C11H25NO2 — CID 62567271

IUPACN-[2-(2-methoxyethoxy)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)OCCOC
InChIInChI=1S/C11H25NO2/c1-5-11(6-2)12-9-10(3)14-8-7-13-4/h10-12H,5-9H2,1-4H3
InChIKeyVKIHLPLKHJDVPH-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds9

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

N-[2-(2-methoxyethoxy)propyl]pentan-3-amine (PubChem CID 62567271) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)propyl]pentan-3-amine
PubChem CID62567271
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-[2-(2-methoxyethoxy)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)OCCOC
InChIInChI=1S/C11H25NO2/c1-5-11(6-2)12-9-10(3)14-8-7-13-4/h10-12H,5-9H2,1-4H3
InChIKeyVKIHLPLKHJDVPH-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.82
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,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932
ethane;2-(2-methoxyethoxy)butane
CID 168922397
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
2-N-(2-methoxyethyl)-1-N,2-N-di(pentan-3-yl)propane-1,2-diamine
CID 62568197
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
N-ethyl-4-(2-methoxyethoxy)pentan-2-amine
CID 64708312
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
N-(2-methoxyethyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 62571731
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
CID 104567163

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)propyl]pentan-3-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)propyl]pentan-3-amine (CID 62567271) is N-[2-(2-methoxyethoxy)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)propyl]pentan-3-amine is CCC(CC)NCC(C)OCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)propyl]pentan-3-amine?
The InChIKey is VKIHLPLKHJDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-11(6-2)12-9-10(3)14-8-7-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-[2-(2-methoxyethoxy)propyl]pentan-3-amine?
N-[2-(2-methoxyethoxy)propyl]pentan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)propyl]pentan-3-amine is sourced from PubChem (CID 62567271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).