5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine

C26H47ClN4 — CID 58457379

IUPAC5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
SMILESCC(C)[C@H](CN1CCC(C2C=CC(Cl)CC2)C(C)(C)C1)NCC1=CCC(N(C)C)NC1
InChIInChI=1S/C26H47ClN4/c1-19(2)24(28-15-20-7-12-25(29-16-20)30(5)6)17-31-14-13-23(26(3,4)18-31)21-8-10-22(27)11-9-21/h7-8,10,19,21-25,28-29H,9,11-18H2,1-6H3/t21?,22?,23?,24-,25?/m0/s1
InChIKeyKNZVKGSOWXECRX-WWNAGFPVSA-N
MW451.14 g/mol
LogP4.33
Rot. Bonds8

About 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine

5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine (PubChem CID 58457379) has the molecular formula C26H47ClN4 and a molecular weight of 451.14 g/mol. Its IUPAC name is 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine.

Molecular Properties

Compound Name5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
PubChem CID58457379
Molecular FormulaC26H47ClN4
Molecular Weight451.14 g/mol
Exact Mass450.35
IUPAC Name5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
SMILESCC(C)[C@H](CN1CCC(C2C=CC(Cl)CC2)C(C)(C)C1)NCC1=CCC(N(C)C)NC1
InChIInChI=1S/C26H47ClN4/c1-19(2)24(28-15-20-7-12-25(29-16-20)30(5)6)17-31-14-13-23(26(3,4)18-31)21-8-10-22(27)11-9-21/h7-8,10,19,21-25,28-29H,9,11-18H2,1-6H3/t21?,22?,23?,24-,25?/m0/s1
InChIKeyKNZVKGSOWXECRX-WWNAGFPVSA-N
XLogP4.33
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.14
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine 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 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine?
The IUPAC name of 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine (CID 58457379) is 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine.
What is the SMILES notation for 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine?
The canonical SMILES for 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine is CC(C)[C@H](CN1CCC(C2C=CC(Cl)CC2)C(C)(C)C1)NCC1=CCC(N(C)C)NC1.
What is the InChIKey of 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine?
The InChIKey is KNZVKGSOWXECRX-WWNAGFPVSA-N. The full InChI is InChI=1S/C26H47ClN4/c1-19(2)24(28-15-20-7-12-25(29-16-20)30(5)6)17-31-14-13-23(26(3,4)18-31)21-8-10-22(27)11-9-21/h7-8,10,19,21-25,28-29H,9,11-18H2,1-6H3/t21?,22?,23?,24-,25?/m0/s1.
What are the key properties of 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine?
5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine has a molecular weight of 451.14 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine is sourced from PubChem (CID 58457379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).