5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine

C13H29NO — CID 176679059

IUPAC5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCCOCCC(C)(C)C(C)(C)NC(C)C
InChIInChI=1S/C13H29NO/c1-8-15-10-9-12(4,5)13(6,7)14-11(2)3/h11,14H,8-10H2,1-7H3
InChIKeyPZBHPJMQGFTERG-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds7

About 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine

5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 176679059) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine
PubChem CID176679059
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCCOCCC(C)(C)C(C)(C)NC(C)C
InChIInChI=1S/C13H29NO/c1-8-15-10-9-12(4,5)13(6,7)14-11(2)3/h11,14H,8-10H2,1-7H3
InChIKeyPZBHPJMQGFTERG-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-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

4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
CID 166780842
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane
CID 83153665
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 82960819
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
CID 160537822
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine (CID 176679059) is 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine is CCOCCC(C)(C)C(C)(C)NC(C)C.
What is the InChIKey of 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is PZBHPJMQGFTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-8-15-10-9-12(4,5)13(6,7)14-11(2)3/h11,14H,8-10H2,1-7H3.
What are the key properties of 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine?
5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 176679059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).