carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium

C16H35N3Y-2 — CID 166112944

IUPACcarbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium
SMILESCC.CN1CCC(N(C)CC2CC[N-]CC2)CC1.[CH3-].[Y]
InChIInChI=1S/C13H26N3.C2H6.CH3.Y/c1-15-9-5-13(6-10-15)16(2)11-12-3-7-14-8-4-12;1-2;;/h12-13H,3-11H2,1-2H3;1-2H3;1H3;/q-1;;-1;
InChIKeyUEEBBJIVKGETBU-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.27
Rot. Bonds3

About carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium

carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium (PubChem CID 166112944) has the molecular formula C16H35N3Y-2 and a molecular weight of 358.38 g/mol. Its IUPAC name is carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium
PubChem CID166112944
Molecular FormulaC16H35N3Y-2
Molecular Weight358.38 g/mol
Exact Mass358.19
IUPAC Namecarbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium
SMILESCC.CN1CCC(N(C)CC2CC[N-]CC2)CC1.[CH3-].[Y]
InChIInChI=1S/C13H26N3.C2H6.CH3.Y/c1-15-9-5-13(6-10-15)16(2)11-12-3-7-14-8-4-12;1-2;;/h12-13H,3-11H2,1-2H3;1-2H3;1H3;/q-1;;-1;
InChIKeyUEEBBJIVKGETBU-UHFFFAOYSA-N
XLogP3.27
TPSA20.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 60850713
4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 115239845
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]azetidin-3-amine
CID 63236886
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
N,1-dimethyl-N-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-amine
CID 29185164
4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-one
CID 115240121
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475

Frequently Asked Questions

What is the IUPAC name of carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium?
The IUPAC name of carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium (CID 166112944) is carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium.
What is the SMILES notation for carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium?
The canonical SMILES for carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium is CC.CN1CCC(N(C)CC2CC[N-]CC2)CC1.[CH3-].[Y].
What is the InChIKey of carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium?
The InChIKey is UEEBBJIVKGETBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N3.C2H6.CH3.Y/c1-15-9-5-13(6-10-15)16(2)11-12-3-7-14-8-4-12;1-2;;/h12-13H,3-11H2,1-2H3;1-2H3;1H3;/q-1;;-1;.
What are the key properties of carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium?
carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium has a molecular weight of 358.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium is sourced from PubChem (CID 166112944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).