2,2,6,6-tetramethylheptane-3,4-diamine

C11H26N2 — CID 175410275

IUPAC2,2,6,6-tetramethylheptane-3,4-diamine
SMILESCC(C)(C)CC(N)C(N)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2,3)7-8(12)9(13)11(4,5)6/h8-9H,7,12-13H2,1-6H3
InChIKeyQCRDJBDKDKSLKG-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.12
Rot. Bonds2

About 2,2,6,6-tetramethylheptane-3,4-diamine

2,2,6,6-tetramethylheptane-3,4-diamine (PubChem CID 175410275) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2,6,6-tetramethylheptane-3,4-diamine.

Molecular Properties

Compound Name2,2,6,6-tetramethylheptane-3,4-diamine
PubChem CID175410275
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2,2,6,6-tetramethylheptane-3,4-diamine
SMILESCC(C)(C)CC(N)C(N)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2,3)7-8(12)9(13)11(4,5)6/h8-9H,7,12-13H2,1-6H3
InChIKeyQCRDJBDKDKSLKG-UHFFFAOYSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylheptane-3,4-diamine?
The IUPAC name of 2,2,6,6-tetramethylheptane-3,4-diamine (CID 175410275) is 2,2,6,6-tetramethylheptane-3,4-diamine.
What is the SMILES notation for 2,2,6,6-tetramethylheptane-3,4-diamine?
The canonical SMILES for 2,2,6,6-tetramethylheptane-3,4-diamine is CC(C)(C)CC(N)C(N)C(C)(C)C.
What is the InChIKey of 2,2,6,6-tetramethylheptane-3,4-diamine?
The InChIKey is QCRDJBDKDKSLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2,3)7-8(12)9(13)11(4,5)6/h8-9H,7,12-13H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethylheptane-3,4-diamine?
2,2,6,6-tetramethylheptane-3,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylheptane-3,4-diamine is sourced from PubChem (CID 175410275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).