3-ethyl-7-methoxyheptan-3-amine

C10H23NO — CID 104650482

IUPAC3-ethyl-7-methoxyheptan-3-amine
SMILESCCC(N)(CC)CCCCOC
InChIInChI=1S/C10H23NO/c1-4-10(11,5-2)8-6-7-9-12-3/h4-9,11H2,1-3H3
InChIKeyDQWZVSMCSOGMMD-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds7

About 3-ethyl-7-methoxyheptan-3-amine

3-ethyl-7-methoxyheptan-3-amine (PubChem CID 104650482) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-ethyl-7-methoxyheptan-3-amine.

Molecular Properties

Compound Name3-ethyl-7-methoxyheptan-3-amine
PubChem CID104650482
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-ethyl-7-methoxyheptan-3-amine
SMILESCCC(N)(CC)CCCCOC
InChIInChI=1S/C10H23NO/c1-4-10(11,5-2)8-6-7-9-12-3/h4-9,11H2,1-3H3
InChIKeyDQWZVSMCSOGMMD-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

Analyze 3-ethyl-7-methoxyheptan-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

3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
3-ethyl-1-(3-methoxypropoxy)pentan-3-amine
CID 103184740
7-methoxy-3-methylheptan-3-amine
CID 104650485
6-methoxy-2-methylhexan-2-amine
CID 94975413
3-ethyloctan-3-amine
CID 19350108
3-ethylnonadecan-3-amine
CID 19028625
3-ethylheptan-3-amine
CID 12708037
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
6-ethylundecan-6-amine
CID 173250227
2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine
CID 79814662
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
diethyl 2-ethyl-2-(4-methoxybutyl)propanedioate
CID 104651057

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxyheptan-3-amine?
The IUPAC name of 3-ethyl-7-methoxyheptan-3-amine (CID 104650482) is 3-ethyl-7-methoxyheptan-3-amine.
What is the SMILES notation for 3-ethyl-7-methoxyheptan-3-amine?
The canonical SMILES for 3-ethyl-7-methoxyheptan-3-amine is CCC(N)(CC)CCCCOC.
What is the InChIKey of 3-ethyl-7-methoxyheptan-3-amine?
The InChIKey is DQWZVSMCSOGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-10(11,5-2)8-6-7-9-12-3/h4-9,11H2,1-3H3.
What are the key properties of 3-ethyl-7-methoxyheptan-3-amine?
3-ethyl-7-methoxyheptan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxyheptan-3-amine is sourced from PubChem (CID 104650482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).