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

C11H21NO — CID 103024803

IUPACN-ethyl-6-methoxy-6-methylhept-1-yn-4-amine
SMILESC#CCC(CC(C)(C)OC)NCC
InChIInChI=1S/C11H21NO/c1-6-8-10(12-7-2)9-11(3,4)13-5/h1,10,12H,7-9H2,2-5H3
InChIKeyGFSAMRKWWWLDMW-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds6

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

N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine (PubChem CID 103024803) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-6-methylhept-1-yn-4-amine
PubChem CID103024803
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-6-methoxy-6-methylhept-1-yn-4-amine
SMILESC#CCC(CC(C)(C)OC)NCC
InChIInChI=1S/C11H21NO/c1-6-8-10(12-7-2)9-11(3,4)13-5/h1,10,12H,7-9H2,2-5H3
InChIKeyGFSAMRKWWWLDMW-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-6-methoxy-4,6-dimethyloct-1-yn-3-amine
CID 123172133
N-ethyl-5-methoxy-5-methylhept-1-yn-3-amine
CID 123391999
(2R)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013888
(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013890
(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013896
(2S)-N-[(2S)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013898
(2R)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013900
(2R)-N-[(2S)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013902
(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine
CID 29013904
(2S)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine
CID 29013906
(2S)-4-methoxy-4-methyl-N-pentylpentan-2-amine
CID 29013950
(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine
CID 29013952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine?
The IUPAC name of N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine (CID 103024803) is N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine.
What is the SMILES notation for N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine?
The canonical SMILES for N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine is C#CCC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine?
The InChIKey is GFSAMRKWWWLDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-8-10(12-7-2)9-11(3,4)13-5/h1,10,12H,7-9H2,2-5H3.
What are the key properties of N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine?
N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-6-methylhept-1-yn-4-amine is sourced from PubChem (CID 103024803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).