2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum

C16H38N4Ta — CID 87735870

IUPAC2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum
SMILESCCN(CC)CC(C)(C)N(N(CC)CC)N(CC)CC.[Ta]
InChIInChI=1S/C16H38N4.Ta/c1-9-17(10-2)15-16(7,8)20(18(11-3)12-4)19(13-5)14-6;/h9-15H2,1-8H3;
InChIKeyYRZUTEDJDZGLRL-UHFFFAOYSA-N
MW467.46 g/mol
LogP2.92
Rot. Bonds11

About 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum

2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum (PubChem CID 87735870) has the molecular formula C16H38N4Ta and a molecular weight of 467.46 g/mol. Its IUPAC name is 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum.

Molecular Properties

Compound Name2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum
PubChem CID87735870
Molecular FormulaC16H38N4Ta
Molecular Weight467.46 g/mol
Exact Mass467.26
IUPAC Name2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum
SMILESCCN(CC)CC(C)(C)N(N(CC)CC)N(CC)CC.[Ta]
InChIInChI=1S/C16H38N4.Ta/c1-9-17(10-2)15-16(7,8)20(18(11-3)12-4)19(13-5)14-6;/h9-15H2,1-8H3;
InChIKeyYRZUTEDJDZGLRL-UHFFFAOYSA-N
XLogP2.92
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N,2-triethyl-2-methylbutan-1-amine
CID 130442149
N,N-diethyl-2,2-dimethylpropan-1-amine;propane
CID 159791280
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
N',2-diethyl-N'-(2-ethylbutyl)-2-methylpropane-1,3-diamine
CID 62261128
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
N,N-diethylethanamine;ethane
CID 22114990
N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine
CID 63494621
N,N-diethyl-3-methoxy-2,2-dimethylpropan-1-amine
CID 139968907
N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine
CID 62259060
1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 158877241
2-(diethylaminomethyl)-2-propylpropane-1,3-diol
CID 21119690
bis(N,N-diethylethanamine);dihydrate
CID 173331052

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum?
The IUPAC name of 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum (CID 87735870) is 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum.
What is the SMILES notation for 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum?
The canonical SMILES for 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum is CCN(CC)CC(C)(C)N(N(CC)CC)N(CC)CC.[Ta].
What is the InChIKey of 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum?
The InChIKey is YRZUTEDJDZGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4.Ta/c1-9-17(10-2)15-16(7,8)20(18(11-3)12-4)19(13-5)14-6;/h9-15H2,1-8H3;.
What are the key properties of 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum?
2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum has a molecular weight of 467.46 g/mol, XLogP of 2.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(diethylamino)-1-N,1-N-diethyl-2-methylpropane-1,2-diamine;tantalum is sourced from PubChem (CID 87735870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).