N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine

C15H29NO2 — CID 62584968

IUPACN-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
SMILESC1CCC(CNCCOCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-4-14(5-3-1)12-16-8-11-18-13-15-6-9-17-10-7-15/h14-16H,1-13H2
InChIKeyDYZIPALDQLCJAZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds7

About N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine

N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine (PubChem CID 62584968) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
PubChem CID62584968
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
SMILESC1CCC(CNCCOCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-4-14(5-3-1)12-16-8-11-18-13-15-6-9-17-10-7-15/h14-16H,1-13H2
InChIKeyDYZIPALDQLCJAZ-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
1-(cyclooctylmethyl)-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642760
N-[2-(cyclohexylmethoxy)ethyl]formamide
CID 164604134
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
CID 62582719
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
1-(3-cyclopentylpropyl)-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642003

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine (CID 62584968) is N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine is C1CCC(CNCCOCC2CCOCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine?
The InChIKey is DYZIPALDQLCJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-4-14(5-3-1)12-16-8-11-18-13-15-6-9-17-10-7-15/h14-16H,1-13H2.
What are the key properties of N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine?
N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine is sourced from PubChem (CID 62584968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).