copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide

C19H31CuN5-3 — CID 5257754

IUPACcopper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide
SMILESC1=CCC(CN(CC2CCCC[N-]2)CC2CCCC[N-]2)[N-]C1.[C-]#N.[Cu+]
InChIInChI=1S/C18H31N4.CN.Cu/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2;/h1,4,16-18H,2-3,5-15H2;;/q-3;-1;+1
InChIKeyBLZOAXSIMPNULK-UHFFFAOYSA-N
MW393.04 g/mol
LogP3.94
Rot. Bonds6

About copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide

copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide (PubChem CID 5257754) has the molecular formula C19H31CuN5-3 and a molecular weight of 393.04 g/mol. Its IUPAC name is copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide.

Molecular Properties

Compound Namecopper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide
PubChem CID5257754
Molecular FormulaC19H31CuN5-3
Molecular Weight393.04 g/mol
Exact Mass392.19
IUPAC Namecopper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide
SMILESC1=CCC(CN(CC2CCCC[N-]2)CC2CCCC[N-]2)[N-]C1.[C-]#N.[Cu+]
InChIInChI=1S/C18H31N4.CN.Cu/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2;/h1,4,16-18H,2-3,5-15H2;;/q-3;-1;+1
InChIKeyBLZOAXSIMPNULK-UHFFFAOYSA-N
XLogP3.94
TPSA69.33 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.04
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide with MolForge

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

Launch Full Analysis

Related Compounds

3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)
CID 6389349
copper;2-(3,6-dihydro-2H-pyridin-1-id-2-yl)ethanamine;2-piperidin-1-id-2-ylethanamine;diisothiocyanate
CID 6394188
3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)
CID 5254858
dichloropalladium;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
CID 54598379
acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
CID 5245924
potassium pyrrolidin-1-id-2-ylmethanamine
CID 176672459
bis(copper(1+));2-(piperidin-1-id-2-ylmethylamino)ethanesulfinic acid;2-(2H-pyridin-1-id-2-ylmethylamino)ethanesulfinic acid;dihydrate
CID 6397311
6-piperidin-1-id-2-yl-2H-pyridin-1-ide;tetrabromorhenium
CID 5251027
4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
CID 123938044
2-amino-3-cyclohexylpropanoic acid;cobalt(2+);1-N-(piperidin-1-id-2-ylmethyl)-2-N-(2H-pyridin-1-id-6-ylmethyl)cyclohexane-1,2-diamine
CID 6395121
tris((2,6-difluorocyclohexyl)-piperidin-1-id-2-ylazanide);(2,6-difluorocyclohexyl)-(2H-pyridin-1-id-6-yl)azanide;bis(rhodium);cyanide
CID 5246396
magnesium;2-methylpiperidin-1-ide;chloride
CID 140709501

Frequently Asked Questions

What is the IUPAC name of copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide?
The IUPAC name of copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide (CID 5257754) is copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide.
What is the SMILES notation for copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide?
The canonical SMILES for copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide is C1=CCC(CN(CC2CCCC[N-]2)CC2CCCC[N-]2)[N-]C1.[C-]#N.[Cu+].
What is the InChIKey of copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide?
The InChIKey is BLZOAXSIMPNULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N4.CN.Cu/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2;/h1,4,16-18H,2-3,5-15H2;;/q-3;-1;+1.
What are the key properties of copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide?
copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide has a molecular weight of 393.04 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide is sourced from PubChem (CID 5257754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).