2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine

C12H28N2 — CID 83054074

IUPAC2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
SMILESCCCC(CNC)N(CC)C(C)CC
InChIInChI=1S/C12H28N2/c1-6-9-12(10-13-5)14(8-3)11(4)7-2/h11-13H,6-10H2,1-5H3
InChIKeyQZELGPAQWWFTRN-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.49
Rot. Bonds8

About 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine

2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine (PubChem CID 83054074) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
PubChem CID83054074
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
SMILESCCCC(CNC)N(CC)C(C)CC
InChIInChI=1S/C12H28N2/c1-6-9-12(10-13-5)14(8-3)11(4)7-2/h11-13H,6-10H2,1-5H3
InChIKeyQZELGPAQWWFTRN-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8459
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N,N'-Diisopropylethylenediamine
CID 77628
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
N,N'-Dibutylethylenediamine
CID 77629
N-(2-aminopropyl)propane-1,2-diamine
CID 96199
3-amino-N-ethylpiperidine
CID 98094
1-Pentylpiperazine
CID 2737112
Diethylenetriamine, 1,7-bis(2'-propyl)-
CID 23423558
N,N-Dibutylethylenediamine
CID 77062
N-methyl-N'-[4-(methylamino)butyl]pentane-1,5-diamine
CID 9794228

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine (CID 83054074) is 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine is CCCC(CNC)N(CC)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine?
The InChIKey is QZELGPAQWWFTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-9-12(10-13-5)14(8-3)11(4)7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 83054074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).