3-N,3-N,3,6-tetramethylheptane-3,4-diamine

C11H26N2 — CID 79063853

IUPAC3-N,3-N,3,6-tetramethylheptane-3,4-diamine
SMILESCCC(C)(C(N)CC(C)C)N(C)C
InChIInChI=1S/C11H26N2/c1-7-11(4,13(5)6)10(12)8-9(2)3/h9-10H,7-8,12H2,1-6H3
InChIKeySBWOGHMBGIIIOO-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds5

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

3-N,3-N,3,6-tetramethylheptane-3,4-diamine (PubChem CID 79063853) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-N,3-N,3,6-tetramethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,3,6-tetramethylheptane-3,4-diamine
PubChem CID79063853
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-N,3-N,3,6-tetramethylheptane-3,4-diamine
SMILESCCC(C)(C(N)CC(C)C)N(C)C
InChIInChI=1S/C11H26N2/c1-7-11(4,13(5)6)10(12)8-9(2)3/h9-10H,7-8,12H2,1-6H3
InChIKeySBWOGHMBGIIIOO-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3,6-tetramethylheptane-3,4-diamine?
The IUPAC name of 3-N,3-N,3,6-tetramethylheptane-3,4-diamine (CID 79063853) is 3-N,3-N,3,6-tetramethylheptane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,3,6-tetramethylheptane-3,4-diamine?
The canonical SMILES for 3-N,3-N,3,6-tetramethylheptane-3,4-diamine is CCC(C)(C(N)CC(C)C)N(C)C.
What is the InChIKey of 3-N,3-N,3,6-tetramethylheptane-3,4-diamine?
The InChIKey is SBWOGHMBGIIIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-11(4,13(5)6)10(12)8-9(2)3/h9-10H,7-8,12H2,1-6H3.
What are the key properties of 3-N,3-N,3,6-tetramethylheptane-3,4-diamine?
3-N,3-N,3,6-tetramethylheptane-3,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3,6-tetramethylheptane-3,4-diamine is sourced from PubChem (CID 79063853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).