2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine

C15H29NO — CID 103273206

IUPAC2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
SMILESCC1CC(OC2(CCN)CCC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-12-9-13(11-14(2,3)10-12)17-15(7-8-16)5-4-6-15/h12-13H,4-11,16H2,1-3H3
InChIKeyDDWWWOPBQJPELJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds4

About 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine

2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine (PubChem CID 103273206) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
PubChem CID103273206
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
SMILESCC1CC(OC2(CCN)CCC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-12-9-13(11-14(2,3)10-12)17-15(7-8-16)5-4-6-15/h12-13H,4-11,16H2,1-3H3
InChIKeyDDWWWOPBQJPELJ-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
CID 103273209
N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
CID 55036865
(3,3,5-trimethylcyclohexyl) 4-aminobutanoate
CID 61304471
3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62457350
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 104748909
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
CID 93286265
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
The IUPAC name of 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine (CID 103273206) is 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine is CC1CC(OC2(CCN)CCC2)CC(C)(C)C1.
What is the InChIKey of 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
The InChIKey is DDWWWOPBQJPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-9-13(11-14(2,3)10-12)17-15(7-8-16)5-4-6-15/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine is sourced from PubChem (CID 103273206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).