6-ethoxy-3-methylidenenonan-5-amine

C12H25NO — CID 116717528

IUPAC6-ethoxy-3-methylidenenonan-5-amine
SMILESC=C(CC)CC(N)C(CCC)OCC
InChIInChI=1S/C12H25NO/c1-5-8-12(14-7-3)11(13)9-10(4)6-2/h11-12H,4-9,13H2,1-3H3
InChIKeyQNLDRIDYRYUGCB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.88
Rot. Bonds8

About 6-ethoxy-3-methylidenenonan-5-amine

6-ethoxy-3-methylidenenonan-5-amine (PubChem CID 116717528) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-ethoxy-3-methylidenenonan-5-amine.

Molecular Properties

Compound Name6-ethoxy-3-methylidenenonan-5-amine
PubChem CID116717528
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-ethoxy-3-methylidenenonan-5-amine
SMILESC=C(CC)CC(N)C(CCC)OCC
InChIInChI=1S/C12H25NO/c1-5-8-12(14-7-3)11(13)9-10(4)6-2/h11-12H,4-9,13H2,1-3H3
InChIKeyQNLDRIDYRYUGCB-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethoxy-3-methylidenenonan-5-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-methylidene-6-propylnonan-5-amine
CID 105006117
(4S)-3-ethoxyheptan-4-amine
CID 104932381
2-ethoxy-5-methylideneheptan-3-ol
CID 66046001
2-methyl-5-methylideneheptan-3-amine
CID 66044107
4-ethoxy-2-methylheptan-3-amine
CID 116717495
1,1-diethoxy-4-methylidenehexan-2-ol
CID 79495661
2-methoxy-5-methylideneheptan-3-amine
CID 79616919
N-methyl-6-methylideneoctan-4-amine
CID 66044817
1-(2-bromophenyl)-3-ethoxyhexan-2-amine
CID 116717551
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 116717615
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476
1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 105164131

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methylidenenonan-5-amine?
The IUPAC name of 6-ethoxy-3-methylidenenonan-5-amine (CID 116717528) is 6-ethoxy-3-methylidenenonan-5-amine.
What is the SMILES notation for 6-ethoxy-3-methylidenenonan-5-amine?
The canonical SMILES for 6-ethoxy-3-methylidenenonan-5-amine is C=C(CC)CC(N)C(CCC)OCC.
What is the InChIKey of 6-ethoxy-3-methylidenenonan-5-amine?
The InChIKey is QNLDRIDYRYUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-8-12(14-7-3)11(13)9-10(4)6-2/h11-12H,4-9,13H2,1-3H3.
What are the key properties of 6-ethoxy-3-methylidenenonan-5-amine?
6-ethoxy-3-methylidenenonan-5-amine has a molecular weight of 199.34 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methylidenenonan-5-amine is sourced from PubChem (CID 116717528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).