(2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide

C18H28N4O2 — CID 168763096

IUPAC(2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide
SMILESC[C@H](ON)[C@H]1CCc2cc(/C(N)=N/C3CCC(N)CC3)ccc2O1
InChIInChI=1S/C18H28N4O2/c1-11(24-21)16-8-2-12-10-13(3-9-17(12)23-16)18(20)22-15-6-4-14(19)5-7-15/h3,9-11,14-16H,2,4-8,19,21H2,1H3,(H2,20,22)/t11-,14?,15?,16+/m0/s1
InChIKeyCLZISRONSKUPSO-IWNGFBJFSA-N
MW332.45 g/mol
LogP1.63
Rot. Bonds4

About (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide

(2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide (PubChem CID 168763096) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide.

Molecular Properties

Compound Name(2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide
PubChem CID168763096
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide
SMILESC[C@H](ON)[C@H]1CCc2cc(/C(N)=N/C3CCC(N)CC3)ccc2O1
InChIInChI=1S/C18H28N4O2/c1-11(24-21)16-8-2-12-10-13(3-9-17(12)23-16)18(20)22-15-6-4-14(19)5-7-15/h3,9-11,14-16H,2,4-8,19,21H2,1H3,(H2,20,22)/t11-,14?,15?,16+/m0/s1
InChIKeyCLZISRONSKUPSO-IWNGFBJFSA-N
XLogP1.63
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide?
The IUPAC name of (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide (CID 168763096) is (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide.
What is the SMILES notation for (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide?
The canonical SMILES for (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide is C[C@H](ON)[C@H]1CCc2cc(/C(N)=N/C3CCC(N)CC3)ccc2O1.
What is the InChIKey of (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide?
The InChIKey is CLZISRONSKUPSO-IWNGFBJFSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-11(24-21)16-8-2-12-10-13(3-9-17(12)23-16)18(20)22-15-6-4-14(19)5-7-15/h3,9-11,14-16H,2,4-8,19,21H2,1H3,(H2,20,22)/t11-,14?,15?,16+/m0/s1.
What are the key properties of (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide?
(2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide has a molecular weight of 332.45 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-(4-aminocyclohexyl)-2-[(1S)-1-aminooxyethyl]-3,4-dihydro-2H-chromene-6-carboximidamide is sourced from PubChem (CID 168763096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).