N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine

C14H27NO2 — CID 55214893

IUPACN-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC2CCOC2)CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-3-15-11-14(7-4-12(2)5-8-14)17-13-6-9-16-10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRFSYKKFQZFFBPJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds5

About N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine

N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine (PubChem CID 55214893) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine
PubChem CID55214893
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC2CCOC2)CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-3-15-11-14(7-4-12(2)5-8-14)17-13-6-9-16-10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRFSYKKFQZFFBPJ-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
CID 63559290
N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
CID 62106808
N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 62107337
N-[[4-ethyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 102607725
1-[4-ethyl-1-(oxolan-3-yloxy)cyclohexyl]-N-methylmethanamine
CID 63556495
N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
CID 64732041
N-[[1-(oxolan-3-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 63557278
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine
CID 102607762
N-[[1-(oxan-4-yloxy)cyclohexyl]methyl]propan-1-amine
CID 62106086
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine (CID 55214893) is N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine is CCNCC1(OC2CCOC2)CCC(C)CC1.
What is the InChIKey of N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine?
The InChIKey is RFSYKKFQZFFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-15-11-14(7-4-12(2)5-8-14)17-13-6-9-16-10-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine?
N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 55214893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).