N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine

C10H19NO — CID 116720318

IUPACN-ethyl-4-methoxy-5-methylhex-1-yn-3-amine
SMILESC#CC(NCC)C(OC)C(C)C
InChIInChI=1S/C10H19NO/c1-6-9(11-7-2)10(12-5)8(3)4/h1,8-11H,7H2,2-5H3
InChIKeyWJMKPWAYPRLTLP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds5

About N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine

N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine (PubChem CID 116720318) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-5-methylhex-1-yn-3-amine
PubChem CID116720318
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-ethyl-4-methoxy-5-methylhex-1-yn-3-amine
SMILESC#CC(NCC)C(OC)C(C)C
InChIInChI=1S/C10H19NO/c1-6-9(11-7-2)10(12-5)8(3)4/h1,8-11H,7H2,2-5H3
InChIKeyWJMKPWAYPRLTLP-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine?
The IUPAC name of N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine (CID 116720318) is N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine.
What is the SMILES notation for N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine?
The canonical SMILES for N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine is C#CC(NCC)C(OC)C(C)C.
What is the InChIKey of N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine?
The InChIKey is WJMKPWAYPRLTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-9(11-7-2)10(12-5)8(3)4/h1,8-11H,7H2,2-5H3.
What are the key properties of N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine?
N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine is sourced from PubChem (CID 116720318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).