(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone

C17H28N2O — CID 119302371

IUPAC(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
SMILESNC1(C(=O)N2CC3CC4CC(C3)CC2C4)CCCCC1
InChIInChI=1S/C17H28N2O/c18-17(4-2-1-3-5-17)16(20)19-11-14-7-12-6-13(8-14)10-15(19)9-12/h12-15H,1-11,18H2
InChIKeyDZIPASKEPMPETM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.69
Rot. Bonds1

About (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone

(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone (PubChem CID 119302371) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
PubChem CID119302371
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
SMILESNC1(C(=O)N2CC3CC4CC(C3)CC2C4)CCCCC1
InChIInChI=1S/C17H28N2O/c18-17(4-2-1-3-5-17)16(20)19-11-14-7-12-6-13(8-14)10-15(19)9-12/h12-15H,1-11,18H2
InChIKeyDZIPASKEPMPETM-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone 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 (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone (CID 119302371) is (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone is NC1(C(=O)N2CC3CC4CC(C3)CC2C4)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone?
The InChIKey is DZIPASKEPMPETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c18-17(4-2-1-3-5-17)16(20)19-11-14-7-12-6-13(8-14)10-15(19)9-12/h12-15H,1-11,18H2.
What are the key properties of (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone?
(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone has a molecular weight of 276.42 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone is sourced from PubChem (CID 119302371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).