2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine

C16H36N2 — CID 107869452

IUPAC2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2,13-17)18(11-9-14(3)4)12-10-15(5)6/h14-15H,7-13,17H2,1-6H3
InChIKeyAEIILMGZTWPMMF-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.90
Rot. Bonds10

About 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine

2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine (PubChem CID 107869452) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
PubChem CID107869452
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2,13-17)18(11-9-14(3)4)12-10-15(5)6/h14-15H,7-13,17H2,1-6H3
InChIKeyAEIILMGZTWPMMF-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-N-(2-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62103453
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol
CID 65277906
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine (CID 107869452) is 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine is CCC(CC)(CN)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine?
The InChIKey is AEIILMGZTWPMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-16(8-2,13-17)18(11-9-14(3)4)12-10-15(5)6/h14-15H,7-13,17H2,1-6H3.
What are the key properties of 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine?
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 107869452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).