[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine

C14H28N2O — CID 114218481

IUPAC[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine
SMILESCCC1CN(CC2CCCC2CN)CCCO1
InChIInChI=1S/C14H28N2O/c1-2-14-11-16(7-4-8-17-14)10-13-6-3-5-12(13)9-15/h12-14H,2-11,15H2,1H3
InChIKeyNNWOMHIFMGHLGN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds4

About [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine

[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine (PubChem CID 114218481) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine
PubChem CID114218481
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine
SMILESCCC1CN(CC2CCCC2CN)CCCO1
InChIInChI=1S/C14H28N2O/c1-2-14-11-16(7-4-8-17-14)10-13-6-3-5-12(13)9-15/h12-14H,2-11,15H2,1H3
InChIKeyNNWOMHIFMGHLGN-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine with MolForge

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Related Compounds

2-[(2-ethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62614413
2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 130485470
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 62974788
6-[(2-ethylmorpholin-4-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849362
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
CID 131115600
2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-2-methylpentanoic acid
CID 114218749
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
CID 131115606
[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 79181049
1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine
CID 114218748

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine (CID 114218481) is [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine is CCC1CN(CC2CCCC2CN)CCCO1.
What is the InChIKey of [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine?
The InChIKey is NNWOMHIFMGHLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-14-11-16(7-4-8-17-14)10-13-6-3-5-12(13)9-15/h12-14H,2-11,15H2,1H3.
What are the key properties of [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine?
[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 114218481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).