N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine

C18H37NO — CID 103273223

IUPACN-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCCCCC(CC)COC1(CCNCC(C)C)CCC1
InChIInChI=1S/C18H37NO/c1-5-7-9-17(6-2)15-20-18(10-8-11-18)12-13-19-14-16(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeySKEMWMCJPUZINZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds12

About N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine

N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine (PubChem CID 103273223) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
PubChem CID103273223
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCCCCC(CC)COC1(CCNCC(C)C)CCC1
InChIInChI=1S/C18H37NO/c1-5-7-9-17(6-2)15-20-18(10-8-11-18)12-13-19-14-16(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeySKEMWMCJPUZINZ-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-ethylhexoxy)cyclobutyl]ethanamine
CID 103273222
2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273231
N-[2-[1-(cyclopentylmethoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274232
2-methyl-N-[2-[1-(2-pyrrolidin-1-ylethoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273660
N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine
CID 103273010
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
2-ethyl-2-(2-ethylhexoxy)oxetane
CID 174469345
2-ethyl-N-pentylhexan-1-amine
CID 43081963
3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356819
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
[4-(2-ethylhexoxy)oxan-4-yl]methanamine
CID 65051972

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine (CID 103273223) is N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine is CCCCC(CC)COC1(CCNCC(C)C)CCC1.
What is the InChIKey of N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
The InChIKey is SKEMWMCJPUZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-7-9-17(6-2)15-20-18(10-8-11-18)12-13-19-14-16(3)4/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103273223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).