2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine

C12H28N2 — CID 60710048

IUPAC2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
SMILESCCCCN(CC)C(C)(CN)C(C)C
InChIInChI=1S/C12H28N2/c1-6-8-9-14(7-2)12(5,10-13)11(3)4/h11H,6-10,13H2,1-5H3
InChIKeyYWDLAEYXJCSVBX-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds7

About 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine

2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine (PubChem CID 60710048) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
PubChem CID60710048
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
SMILESCCCCN(CC)C(C)(CN)C(C)C
InChIInChI=1S/C12H28N2/c1-6-8-9-14(7-2)12(5,10-13)11(3)4/h11H,6-10,13H2,1-5H3
InChIKeyYWDLAEYXJCSVBX-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 61352566
2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 60709914
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
2-N-[2-(dimethylamino)ethyl]-2-N,2,3-trimethylbutane-1,2-diamine
CID 63694125
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
3,3-dimethoxy-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 66181214
1-N"-butyl-1-N,1-N,1-N',1-N'-tetraethyl-1-N"-silylethane-1,1,1-triamine
CID 173059218
2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine
CID 123352773
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine (CID 60710048) is 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine is CCCCN(CC)C(C)(CN)C(C)C.
What is the InChIKey of 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine?
The InChIKey is YWDLAEYXJCSVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-8-9-14(7-2)12(5,10-13)11(3)4/h11H,6-10,13H2,1-5H3.
What are the key properties of 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine?
2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 60710048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).