5-ethoxy-3-methylpentan-1-amine

C8H19NO — CID 87063287

IUPAC5-ethoxy-3-methylpentan-1-amine
SMILESCCOCCC(C)CCN
InChIInChI=1S/C8H19NO/c1-3-10-7-5-8(2)4-6-9/h8H,3-7,9H2,1-2H3
InChIKeyAZNGCHZRTUZTRZ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds6

About 5-ethoxy-3-methylpentan-1-amine

5-ethoxy-3-methylpentan-1-amine (PubChem CID 87063287) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-ethoxy-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-ethoxy-3-methylpentan-1-amine
PubChem CID87063287
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name5-ethoxy-3-methylpentan-1-amine
SMILESCCOCCC(C)CCN
InChIInChI=1S/C8H19NO/c1-3-10-7-5-8(2)4-6-9/h8H,3-7,9H2,1-2H3
InChIKeyAZNGCHZRTUZTRZ-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethoxy-3-methylpentan-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

1,4-diethoxy-2-methylbutane
CID 59899860
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide
CID 82966076
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
2-(aminomethyl)-7-ethoxy-5-methylheptanoic acid
CID 142270027
1-ethoxy-3,5,5-trimethylhexane
CID 22002848
3-N-(2-ethoxyethyl)-3-N-ethylbutane-1,3-diamine
CID 63698411
3-(3,6,8-trimethyldecoxy)propan-1-amine
CID 146184541
1-fluoro-5-(fluoromethoxy)-3-methylpentane
CID 59086817
(2S)-2-methylbutane-1,4-diamine
CID 51382069
N-(2-ethoxyethyl)-N,2-dimethylpentane-1,5-diamine
CID 104682346

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methylpentan-1-amine?
The IUPAC name of 5-ethoxy-3-methylpentan-1-amine (CID 87063287) is 5-ethoxy-3-methylpentan-1-amine.
What is the SMILES notation for 5-ethoxy-3-methylpentan-1-amine?
The canonical SMILES for 5-ethoxy-3-methylpentan-1-amine is CCOCCC(C)CCN.
What is the InChIKey of 5-ethoxy-3-methylpentan-1-amine?
The InChIKey is AZNGCHZRTUZTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-10-7-5-8(2)4-6-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 5-ethoxy-3-methylpentan-1-amine?
5-ethoxy-3-methylpentan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methylpentan-1-amine is sourced from PubChem (CID 87063287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).