N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine

C14H33N3 — CID 65247053

IUPACN'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CN(CCN(C)C)CCC(C)(C)CN
InChIInChI=1S/C14H33N3/c1-13(2)11-17(10-9-16(5)6)8-7-14(3,4)12-15/h13H,7-12,15H2,1-6H3
InChIKeyBWUFGYAOYAONIH-UHFFFAOYSA-N
MW243.44 g/mol
LogP1.88
Rot. Bonds9

About N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine

N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine (PubChem CID 65247053) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
PubChem CID65247053
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CN(CCN(C)C)CCC(C)(C)CN
InChIInChI=1S/C14H33N3/c1-13(2)11-17(10-9-16(5)6)8-7-14(3,4)12-15/h13H,7-12,15H2,1-6H3
InChIKeyBWUFGYAOYAONIH-UHFFFAOYSA-N
XLogP1.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
CID 65246940
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64828090
1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 64818666
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 62271300
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
ethane;2,2,7-trimethyloctan-1-amine
CID 142541342
1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 64820540
N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64566711
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)but-2-ene-1,4-diamine
CID 77110690

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine (CID 65247053) is N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine is CC(C)CN(CCN(C)C)CCC(C)(C)CN.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is BWUFGYAOYAONIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-13(2)11-17(10-9-16(5)6)8-7-14(3,4)12-15/h13H,7-12,15H2,1-6H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine?
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 65247053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).