N-ethyl-1-pentoxybutan-2-amine

C11H25NO — CID 62038519

IUPACN-ethyl-1-pentoxybutan-2-amine
SMILESCCCCCOCC(CC)NCC
InChIInChI=1S/C11H25NO/c1-4-7-8-9-13-10-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3
InChIKeyFQWDIUGADAFLPL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds9

About N-ethyl-1-pentoxybutan-2-amine

N-ethyl-1-pentoxybutan-2-amine (PubChem CID 62038519) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-ethyl-1-pentoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-pentoxybutan-2-amine
PubChem CID62038519
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-ethyl-1-pentoxybutan-2-amine
SMILESCCCCCOCC(CC)NCC
InChIInChI=1S/C11H25NO/c1-4-7-8-9-13-10-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3
InChIKeyFQWDIUGADAFLPL-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-pentoxybutan-2-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

1-hexoxy-N-propylbutan-2-amine
CID 62039776
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
1-(3,3-dimethylbutoxy)-N-ethylbutan-2-amine
CID 66231555
N-ethyl-1-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955028
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
N-ethylnonan-3-amine
CID 60996683
1-(2-ethylbutoxy)decane
CID 22002893
1,3-dibutoxypropan-2-ylhydrazine
CID 89380830

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pentoxybutan-2-amine?
The IUPAC name of N-ethyl-1-pentoxybutan-2-amine (CID 62038519) is N-ethyl-1-pentoxybutan-2-amine.
What is the SMILES notation for N-ethyl-1-pentoxybutan-2-amine?
The canonical SMILES for N-ethyl-1-pentoxybutan-2-amine is CCCCCOCC(CC)NCC.
What is the InChIKey of N-ethyl-1-pentoxybutan-2-amine?
The InChIKey is FQWDIUGADAFLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-8-9-13-10-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-pentoxybutan-2-amine?
N-ethyl-1-pentoxybutan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pentoxybutan-2-amine is sourced from PubChem (CID 62038519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).