1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine

C15H31NO — CID 114013601

IUPAC1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(CC1CC(OCC)C1)NCC
InChIInChI=1S/C15H31NO/c1-5-8-12(4)15(16-6-2)11-13-9-14(10-13)17-7-3/h12-16H,5-11H2,1-4H3
InChIKeyUOMXXGYZRKQTID-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine

1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine (PubChem CID 114013601) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
PubChem CID114013601
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(CC1CC(OCC)C1)NCC
InChIInChI=1S/C15H31NO/c1-5-8-12(4)15(16-6-2)11-13-9-14(10-13)17-7-3/h12-16H,5-11H2,1-4H3
InChIKeyUOMXXGYZRKQTID-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
CID 115842188
1-(3-ethoxycyclobutyl)-N,3-dimethylpentan-2-amine
CID 103169218
1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
CID 103168427
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 103168792
1-(1-adamantyl)-N-ethyl-3-methylhexan-2-amine
CID 107894228
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
N-[1-cyclopropyl-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103168873
1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
CID 103169441
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine
CID 103168344
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
1-cyclopropyl-N-ethyl-3-propylhexan-2-amine
CID 104986528

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine (CID 114013601) is 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine is CCCC(C)C(CC1CC(OCC)C1)NCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine?
The InChIKey is UOMXXGYZRKQTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-8-12(4)15(16-6-2)11-13-9-14(10-13)17-7-3/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine?
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine is sourced from PubChem (CID 114013601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).