6-methoxy-6-methylhept-1-yn-4-amine

C9H17NO — CID 103024804

IUPAC6-methoxy-6-methylhept-1-yn-4-amine
SMILESC#CCC(N)CC(C)(C)OC
InChIInChI=1S/C9H17NO/c1-5-6-8(10)7-9(2,3)11-4/h1,8H,6-7,10H2,2-4H3
InChIKeyJWBALUOEQOSRQT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds4

About 6-methoxy-6-methylhept-1-yn-4-amine

6-methoxy-6-methylhept-1-yn-4-amine (PubChem CID 103024804) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-methoxy-6-methylhept-1-yn-4-amine.

Molecular Properties

Compound Name6-methoxy-6-methylhept-1-yn-4-amine
PubChem CID103024804
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-methoxy-6-methylhept-1-yn-4-amine
SMILESC#CCC(N)CC(C)(C)OC
InChIInChI=1S/C9H17NO/c1-5-6-8(10)7-9(2,3)11-4/h1,8H,6-7,10H2,2-4H3
InChIKeyJWBALUOEQOSRQT-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methoxy-6-methylhept-1-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

5-Butoxy-5-methylhexan-3-amine
CID 146557244
N-but-3-ynyl-4-methoxy-4-methylpentan-2-amine
CID 64085885
2-Methoxy-2-methylhept-6-yn-3-amine
CID 79198002
6-methoxy-N,6-dimethylhept-1-yn-4-amine
CID 103024802
N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine
CID 103024803
6-methoxy-6-methyl-N-propylhept-1-yn-4-amine
CID 103024805
5-Methoxy-2,5-dimethylhexan-3-amine
CID 103024808
5-Methoxy-5-methylhexan-3-amine
CID 103024811
2-Methoxy-2-methyloct-6-yn-4-amine
CID 103024984
2-methoxy-N,2-dimethyloct-6-yn-4-amine
CID 103024985
N-ethyl-2-methoxy-2-methyloct-6-yn-4-amine
CID 103024986
2-methoxy-2-methyl-N-propyloct-6-yn-4-amine
CID 103024987

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methylhept-1-yn-4-amine?
The IUPAC name of 6-methoxy-6-methylhept-1-yn-4-amine (CID 103024804) is 6-methoxy-6-methylhept-1-yn-4-amine.
What is the SMILES notation for 6-methoxy-6-methylhept-1-yn-4-amine?
The canonical SMILES for 6-methoxy-6-methylhept-1-yn-4-amine is C#CCC(N)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-6-methylhept-1-yn-4-amine?
The InChIKey is JWBALUOEQOSRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-8(10)7-9(2,3)11-4/h1,8H,6-7,10H2,2-4H3.
What are the key properties of 6-methoxy-6-methylhept-1-yn-4-amine?
6-methoxy-6-methylhept-1-yn-4-amine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methylhept-1-yn-4-amine is sourced from PubChem (CID 103024804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).