N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine

C15H31NO — CID 62107364

IUPACN-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC(C)CC(C)C)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-12-15(9-7-6-8-10-15)17-14(4)11-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyOZMOAUJSHLPKJX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds7

About N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine

N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine (PubChem CID 62107364) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine
PubChem CID62107364
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC(C)CC(C)C)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-12-15(9-7-6-8-10-15)17-14(4)11-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyOZMOAUJSHLPKJX-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine
CID 63475010
N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
CID 62106260
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
CID 66226009
(1-butan-2-yloxycyclohexyl)methanamine
CID 62108209
(1-butan-2-yloxycycloheptyl)methanamine
CID 62108575
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 102723011
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63493661

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine (CID 62107364) is N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine is CCNCC1(OC(C)CC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine?
The InChIKey is OZMOAUJSHLPKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-16-12-15(9-7-6-8-10-15)17-14(4)11-13(2)3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine?
N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62107364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).