3-ethoxy-3-methylheptan-4-amine

C10H23NO — CID 116758519

IUPAC3-ethoxy-3-methylheptan-4-amine
SMILESCCCC(N)C(C)(CC)OCC
InChIInChI=1S/C10H23NO/c1-5-8-9(11)10(4,6-2)12-7-3/h9H,5-8,11H2,1-4H3
InChIKeyDDRZYAMJHHMDIJ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds6

About 3-ethoxy-3-methylheptan-4-amine

3-ethoxy-3-methylheptan-4-amine (PubChem CID 116758519) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-ethoxy-3-methylheptan-4-amine.

Molecular Properties

Compound Name3-ethoxy-3-methylheptan-4-amine
PubChem CID116758519
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-ethoxy-3-methylheptan-4-amine
SMILESCCCC(N)C(C)(CC)OCC
InChIInChI=1S/C10H23NO/c1-5-8-9(11)10(4,6-2)12-7-3/h9H,5-8,11H2,1-4H3
InChIKeyDDRZYAMJHHMDIJ-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-3-methylheptan-4-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

2-((1-Methylcyclopentyl)oxy)ethan-1-amine
CID 132353858
(2R)-1-ethoxy-4-methylpentan-2-amine
CID 57790395
2-Ethoxy-6,6,6-trifluoro-2-methylhexan-3-amine
CID 116726223
1,1,1-Trifluoro-5-methoxy-5-methylheptan-4-amine
CID 116757356
5-Ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine
CID 116758510
5-Ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine
CID 116759596
5-Ethyl-1,1,1-trifluoro-5-methoxyheptan-4-amine
CID 116760559
(1-Propoxycyclohexyl)methanamine
CID 62108003
(1S)-1-Isobutoxymethyl-3-methylbutylamine
CID 10080858
(1-Ethoxycyclohexyl)methanamine
CID 15495972
(S)-1-Ethoxy-2-amino-4-methylpentane
CID 15745497
1-Ethoxy-4-methylpentan-2-amine
CID 19832636

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methylheptan-4-amine?
The IUPAC name of 3-ethoxy-3-methylheptan-4-amine (CID 116758519) is 3-ethoxy-3-methylheptan-4-amine.
What is the SMILES notation for 3-ethoxy-3-methylheptan-4-amine?
The canonical SMILES for 3-ethoxy-3-methylheptan-4-amine is CCCC(N)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-methylheptan-4-amine?
The InChIKey is DDRZYAMJHHMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-8-9(11)10(4,6-2)12-7-3/h9H,5-8,11H2,1-4H3.
What are the key properties of 3-ethoxy-3-methylheptan-4-amine?
3-ethoxy-3-methylheptan-4-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methylheptan-4-amine is sourced from PubChem (CID 116758519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).