(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone

C14H26N2O2 — CID 114218405

IUPAC(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
SMILESCCC1CN(C(=O)C2CCC(N)CC2)CCCO1
InChIInChI=1S/C14H26N2O2/c1-2-13-10-16(8-3-9-18-13)14(17)11-4-6-12(15)7-5-11/h11-13H,2-10,15H2,1H3
InChIKeyKSUHZTWBQJKLOG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds2

About (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone

(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone (PubChem CID 114218405) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
PubChem CID114218405
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
SMILESCCC1CN(C(=O)C2CCC(N)CC2)CCCO1
InChIInChI=1S/C14H26N2O2/c1-2-13-10-16(8-3-9-18-13)14(17)11-4-6-12(15)7-5-11/h11-13H,2-10,15H2,1H3
InChIKeyKSUHZTWBQJKLOG-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 119703676
cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone
CID 129349008
3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
CID 55116609
(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
CID 130485488
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
2-chloro-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 130485475
cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
CID 130485538
(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
CID 60849021
(3-amino-2-methylcyclohexyl)-(2-ethylmorpholin-4-yl)methanone
CID 62781194
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone (CID 114218405) is (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone is CCC1CN(C(=O)C2CCC(N)CC2)CCCO1.
What is the InChIKey of (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is KSUHZTWBQJKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-13-10-16(8-3-9-18-13)14(17)11-4-6-12(15)7-5-11/h11-13H,2-10,15H2,1H3.
What are the key properties of (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 114218405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).