N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine

C12H27NO — CID 83143458

IUPACN-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
SMILESCCOCCCNCC(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-14-9-7-8-13-10-11(2)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyJOLJPMBRNYLSTK-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds7

About N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine

N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine (PubChem CID 83143458) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
PubChem CID83143458
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
SMILESCCOCCCNCC(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-14-9-7-8-13-10-11(2)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyJOLJPMBRNYLSTK-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-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

N-(2-ethoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 83143749
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 106668147
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
1-(3-ethoxypropylamino)-4-methylpentan-2-ol
CID 107152558
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 62568135

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine (CID 83143458) is N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine is CCOCCCNCC(C)C(C)(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is JOLJPMBRNYLSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-14-9-7-8-13-10-11(2)12(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine?
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83143458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).