N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine

C11H21NO — CID 116724777

IUPACN-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine
SMILESC#CC(NCC)C(OC)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-9(12-8-2)10(13-6)11(3,4)5/h1,9-10,12H,8H2,2-6H3
InChIKeyHYBMWEAYDJUURO-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds4

About N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine

N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine (PubChem CID 116724777) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine
PubChem CID116724777
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine
SMILESC#CC(NCC)C(OC)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-9(12-8-2)10(13-6)11(3,4)5/h1,9-10,12H,8H2,2-6H3
InChIKeyHYBMWEAYDJUURO-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
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-4-methoxy-5-methylhex-1-yn-3-amine
CID 116720318
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
CID 114857105
1-(ethylamino)prop-2-yn-1-ol
CID 123392756
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
N-ethyl-5,6,6-trimethylhept-1-yn-3-amine
CID 104995359
N,4-diethyloct-1-yn-3-amine
CID 104995536
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724854
N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724680
(3S)-4-methoxy-5,5-dimethylhexan-3-amine
CID 104932286
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724757
N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 116724887

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine?
The IUPAC name of N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine (CID 116724777) is N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine.
What is the SMILES notation for N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine?
The canonical SMILES for N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine is C#CC(NCC)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine?
The InChIKey is HYBMWEAYDJUURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-9(12-8-2)10(13-6)11(3,4)5/h1,9-10,12H,8H2,2-6H3.
What are the key properties of N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine?
N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine is sourced from PubChem (CID 116724777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).