1,5-diethoxy-3-methylpentan-3-amine

C10H23NO2 — CID 91552736

IUPAC1,5-diethoxy-3-methylpentan-3-amine
SMILESCCOCCC(C)(N)CCOCC
InChIInChI=1S/C10H23NO2/c1-4-12-8-6-10(3,11)7-9-13-5-2/h4-9,11H2,1-3H3
InChIKeyRJNFZGSZHBMWAX-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.56
Rot. Bonds8

About 1,5-diethoxy-3-methylpentan-3-amine

1,5-diethoxy-3-methylpentan-3-amine (PubChem CID 91552736) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,5-diethoxy-3-methylpentan-3-amine.

Molecular Properties

Compound Name1,5-diethoxy-3-methylpentan-3-amine
PubChem CID91552736
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1,5-diethoxy-3-methylpentan-3-amine
SMILESCCOCCC(C)(N)CCOCC
InChIInChI=1S/C10H23NO2/c1-4-12-8-6-10(3,11)7-9-13-5-2/h4-9,11H2,1-3H3
InChIKeyRJNFZGSZHBMWAX-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-diethoxy-3-methylpentan-3-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-methylbutane-2-thiol
CID 11643948
2-cyclopropyl-4-ethoxybutan-2-amine
CID 114997109
1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine
CID 170722890
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
4-ethoxy-2,2-diethylbutan-1-amine
CID 62725698
2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
CID 122239772
4-ethoxy-1-methoxy-2,2-dimethylbutane
CID 102175651
2-carbamoyl-4-ethoxy-2-methylbutanoic acid
CID 114899702
2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylbutan-1-ol
CID 103491080
1,2-diethoxyethane;hydrofluoride
CID 175535770
4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
CID 160537822

Frequently Asked Questions

What is the IUPAC name of 1,5-diethoxy-3-methylpentan-3-amine?
The IUPAC name of 1,5-diethoxy-3-methylpentan-3-amine (CID 91552736) is 1,5-diethoxy-3-methylpentan-3-amine.
What is the SMILES notation for 1,5-diethoxy-3-methylpentan-3-amine?
The canonical SMILES for 1,5-diethoxy-3-methylpentan-3-amine is CCOCCC(C)(N)CCOCC.
What is the InChIKey of 1,5-diethoxy-3-methylpentan-3-amine?
The InChIKey is RJNFZGSZHBMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-12-8-6-10(3,11)7-9-13-5-2/h4-9,11H2,1-3H3.
What are the key properties of 1,5-diethoxy-3-methylpentan-3-amine?
1,5-diethoxy-3-methylpentan-3-amine has a molecular weight of 189.30 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethoxy-3-methylpentan-3-amine is sourced from PubChem (CID 91552736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).