N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine

C15H29NO — CID 66357222

IUPACN-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
SMILESCCNC1CC(OC2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C15H29NO/c1-5-16-12-7-13(8-12)17-14-6-11(2)9-15(3,4)10-14/h11-14,16H,5-10H2,1-4H3
InChIKeyLWDVUBXFSNITRC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds4

About N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine

N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine (PubChem CID 66357222) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
PubChem CID66357222
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
SMILESCCNC1CC(OC2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C15H29NO/c1-5-16-12-7-13(8-12)17-14-6-11(2)9-15(3,4)10-14/h11-14,16H,5-10H2,1-4H3
InChIKeyLWDVUBXFSNITRC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
CID 66368346
3-(3,3,5-trimethylcyclohexyl)oxyazetidine
CID 62783894
1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79627570
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
[1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol
CID 79645750
2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357422
2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357421
3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane
CID 104673953
3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane
CID 63473870
N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
CID 83044983
N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
CID 103273209
N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine (CID 66357222) is N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine is CCNC1CC(OC2CC(C)CC(C)(C)C2)C1.
What is the InChIKey of N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The InChIKey is LWDVUBXFSNITRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-16-12-7-13(8-12)17-14-6-11(2)9-15(3,4)10-14/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine is sourced from PubChem (CID 66357222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).