N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine

C13H25NO — CID 103029348

IUPACN-ethyl-2-methoxy-2-methylnon-7-yn-4-amine
SMILESCC#CCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C13H25NO/c1-6-8-9-10-12(14-7-2)11-13(3,4)15-5/h12,14H,7,9-11H2,1-5H3
InChIKeyLYBVEDBRJKHZRX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds7

About N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine

N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine (PubChem CID 103029348) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methylnon-7-yn-4-amine
PubChem CID103029348
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-2-methoxy-2-methylnon-7-yn-4-amine
SMILESCC#CCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C13H25NO/c1-6-8-9-10-12(14-7-2)11-13(3,4)15-5/h12,14H,7,9-11H2,1-5H3
InChIKeyLYBVEDBRJKHZRX-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methoxy-2-methylnon-7-yn-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

3-(ethylamino)-5-methoxy-5-methylhexan-1-ol
CID 106676516
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
N-ethyl-7-methoxy-2,2,7-trimethyloctan-4-amine
CID 103031647
N-ethyl-1-propoxyoct-6-yn-3-amine
CID 105181429
N-ethyl-2-methoxy-2,6-dimethylnonan-4-amine
CID 103025130
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
(3-methoxy-3-methylnon-7-yn-4-yl)hydrazine
CID 105274497
3-ethoxy-N,3-diethylnon-7-yn-4-amine
CID 116760060
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
N,3-diethylnon-7-yn-4-amine
CID 105037214
1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine (CID 103029348) is N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine is CC#CCCC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine?
The InChIKey is LYBVEDBRJKHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-8-9-10-12(14-7-2)11-13(3,4)15-5/h12,14H,7,9-11H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine?
N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine is sourced from PubChem (CID 103029348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).