N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine

C11H25NO2 — CID 115891937

IUPACN-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
SMILESCCCC(C)NC(C)COCCOC
InChIInChI=1S/C11H25NO2/c1-5-6-10(2)12-11(3)9-14-8-7-13-4/h10-12H,5-9H2,1-4H3
InChIKeySWTKZDMEXTUIEI-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds9

About N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine

N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine (PubChem CID 115891937) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
PubChem CID115891937
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
SMILESCCCC(C)NC(C)COCCOC
InChIInChI=1S/C11H25NO2/c1-5-6-10(2)12-11(3)9-14-8-7-13-4/h10-12H,5-9H2,1-4H3
InChIKeySWTKZDMEXTUIEI-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-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine
CID 115891973
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535
1-bromo-2-(2-methoxyethoxymethyl)pentane
CID 65011102
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
methane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane
CID 158287890
N-(1-methoxypropan-2-yl)hex-1-yn-3-amine
CID 103520528

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine?
The IUPAC name of N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine (CID 115891937) is N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine.
What is the SMILES notation for N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine?
The canonical SMILES for N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine is CCCC(C)NC(C)COCCOC.
What is the InChIKey of N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine?
The InChIKey is SWTKZDMEXTUIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-6-10(2)12-11(3)9-14-8-7-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine?
N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-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-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine is sourced from PubChem (CID 115891937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).