2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine

C13H29NO — CID 83138911

IUPAC2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
SMILESCCNCC(CCCOCC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-14-11-12(13(3,4)5)9-8-10-15-7-2/h12,14H,6-11H2,1-5H3
InChIKeyRQUMDVOGYAGIHI-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds8

About 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine

2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine (PubChem CID 83138911) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
PubChem CID83138911
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
SMILESCCNCC(CCCOCC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-14-11-12(13(3,4)5)9-8-10-15-7-2/h12,14H,6-11H2,1-5H3
InChIKeyRQUMDVOGYAGIHI-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-ethoxy-N-ethylpentan-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

5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine
CID 81015252
N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83139596
2-(2-ethoxyethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139517
2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139638
2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138570
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine
CID 83138608
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803
2-tert-butyl-N-(2-methylpropyl)hexan-1-amine
CID 83138560
2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83138342

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine?
The IUPAC name of 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine (CID 83138911) is 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine.
What is the SMILES notation for 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine?
The canonical SMILES for 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine is CCNCC(CCCOCC)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine?
The InChIKey is RQUMDVOGYAGIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-14-11-12(13(3,4)5)9-8-10-15-7-2/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine?
2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine is sourced from PubChem (CID 83138911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).