N-ethyl-3-methoxyoct-7-yn-4-amine

C11H21NO — CID 116715754

IUPACN-ethyl-3-methoxyoct-7-yn-4-amine
SMILESC#CCCC(NCC)C(CC)OC
InChIInChI=1S/C11H21NO/c1-5-8-9-10(12-7-3)11(6-2)13-4/h1,10-12H,6-9H2,2-4H3
InChIKeyMTBMNHFZKXZTPJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds7

About N-ethyl-3-methoxyoct-7-yn-4-amine

N-ethyl-3-methoxyoct-7-yn-4-amine (PubChem CID 116715754) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-3-methoxyoct-7-yn-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxyoct-7-yn-4-amine
PubChem CID116715754
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-3-methoxyoct-7-yn-4-amine
SMILESC#CCCC(NCC)C(CC)OC
InChIInChI=1S/C11H21NO/c1-5-8-9-10(12-7-3)11(6-2)13-4/h1,10-12H,6-9H2,2-4H3
InChIKeyMTBMNHFZKXZTPJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methoxynonan-4-amine
CID 116715626
3-methoxynon-8-yn-4-ylhydrazine
CID 105270720
N,6-diethyl-3-methoxyoctan-4-amine
CID 116715848
N-ethyl-5-methoxy-2-methylheptan-4-amine
CID 116715625
N-ethyl-3-methoxyoct-6-yn-4-amine
CID 116715868
5-methoxy-N-methylhept-1-yn-4-amine
CID 116715372
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116722520
N-ethyl-5-methylhept-1-yn-4-amine
CID 63717234
N-ethyl-1-(2,3,4-trimethoxyphenyl)pent-4-yn-1-amine
CID 115859372
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722
N,3-diethyl-5-methoxyheptan-4-amine
CID 116715851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxyoct-7-yn-4-amine?
The IUPAC name of N-ethyl-3-methoxyoct-7-yn-4-amine (CID 116715754) is N-ethyl-3-methoxyoct-7-yn-4-amine.
What is the SMILES notation for N-ethyl-3-methoxyoct-7-yn-4-amine?
The canonical SMILES for N-ethyl-3-methoxyoct-7-yn-4-amine is C#CCCC(NCC)C(CC)OC.
What is the InChIKey of N-ethyl-3-methoxyoct-7-yn-4-amine?
The InChIKey is MTBMNHFZKXZTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-8-9-10(12-7-3)11(6-2)13-4/h1,10-12H,6-9H2,2-4H3.
What are the key properties of N-ethyl-3-methoxyoct-7-yn-4-amine?
N-ethyl-3-methoxyoct-7-yn-4-amine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxyoct-7-yn-4-amine is sourced from PubChem (CID 116715754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).