N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)

C14H32NY — CID 58729424

IUPACN,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)
SMILES[CH2-]C.[CH2-]C.[CH2-]N(CC)C(CC)(CC)CC.[Y+3]
InChIInChI=1S/C10H22N.2C2H5.Y/c1-6-10(7-2,8-3)11(5)9-4;2*1-2;/h5-9H2,1-4H3;2*1H2,2H3;/q3*-1;+3
InChIKeyWMDUVWDUAGGCJT-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.75
Rot. Bonds5

About N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)

N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+) (PubChem CID 58729424) has the molecular formula C14H32NY and a molecular weight of 303.32 g/mol. Its IUPAC name is N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+).

Molecular Properties

Compound NameN,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)
PubChem CID58729424
Molecular FormulaC14H32NY
Molecular Weight303.32 g/mol
Exact Mass303.16
IUPAC NameN,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)
SMILES[CH2-]C.[CH2-]C.[CH2-]N(CC)C(CC)(CC)CC.[Y+3]
InChIInChI=1S/C10H22N.2C2H5.Y/c1-6-10(7-2,8-3)11(5)9-4;2*1-2;/h5-9H2,1-4H3;2*1H2,2H3;/q3*-1;+3
InChIKeyWMDUVWDUAGGCJT-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+) 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

N-ethyl-N-methanidylethanamine;rhenium
CID 59858121
copper;tris(N-ethyl-N-methanidylethanamine)
CID 163917323
N,N,3-triethyldodecan-3-amine
CID 150961559
N-ethyl-N-methanidylpropan-1-amine
CID 59691637
1-N,1-N,1-N',1-N',1-N",1-N"-hexaethylpropane-1,1,1-triamine
CID 174059881
CID 23146685
CID 23146685
N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
CID 62008453
N-ethyl-N-methanidylpropan-1-amine;yttrium
CID 165098751
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine
CID 135274420
2-(diethylamino)-2-methylpropane-1,3-diol
CID 21452281
lithium tris(3-ethylpentan-3-yloxy)alumanuide
CID 117059139

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)?
The IUPAC name of N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+) (CID 58729424) is N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+).
What is the SMILES notation for N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)?
The canonical SMILES for N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+) is [CH2-]C.[CH2-]C.[CH2-]N(CC)C(CC)(CC)CC.[Y+3].
What is the InChIKey of N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)?
The InChIKey is WMDUVWDUAGGCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N.2C2H5.Y/c1-6-10(7-2,8-3)11(5)9-4;2*1-2;/h5-9H2,1-4H3;2*1H2,2H3;/q3*-1;+3.
What are the key properties of N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+)?
N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+) has a molecular weight of 303.32 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-methanidylpentan-3-amine;ethane;yttrium(3+) is sourced from PubChem (CID 58729424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).