2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine

C12H28N2 — CID 57178332

IUPAC2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine
SMILESCCN(CC)C(CN)(C(C)C)C(C)C
InChIInChI=1S/C12H28N2/c1-7-14(8-2)12(9-13,10(3)4)11(5)6/h10-11H,7-9,13H2,1-6H3
InChIKeyZAPWAWITSWOCMD-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds6

About 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine

2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine (PubChem CID 57178332) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine
PubChem CID57178332
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine
SMILESCCN(CC)C(CN)(C(C)C)C(C)C
InChIInChI=1S/C12H28N2/c1-7-14(8-2)12(9-13,10(3)4)11(5)6/h10-11H,7-9,13H2,1-6H3
InChIKeyZAPWAWITSWOCMD-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine (CID 57178332) is 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine is CCN(CC)C(CN)(C(C)C)C(C)C.
What is the InChIKey of 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
The InChIKey is ZAPWAWITSWOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-14(8-2)12(9-13,10(3)4)11(5)6/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 57178332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).