N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine

C14H27NO2 — CID 62567695

IUPACN-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESC1CCC(COCCNCC2CCCC2)OC1
InChIInChI=1S/C14H27NO2/c1-2-6-13(5-1)11-15-8-10-16-12-14-7-3-4-9-17-14/h13-15H,1-12H2
InChIKeyUXNHFAMKSNFLCU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds7

About N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine

N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine (PubChem CID 62567695) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
PubChem CID62567695
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESC1CCC(COCCNCC2CCCC2)OC1
InChIInChI=1S/C14H27NO2/c1-2-6-13(5-1)11-15-8-10-16-12-14-7-3-4-9-17-14/h13-15H,1-12H2
InChIKeyUXNHFAMKSNFLCU-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62584968
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine (CID 62567695) is N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine is C1CCC(COCCNCC2CCCC2)OC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine?
The InChIKey is UXNHFAMKSNFLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-6-13(5-1)11-15-8-10-16-12-14-7-3-4-9-17-14/h13-15H,1-12H2.
What are the key properties of N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine?
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 62567695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).