4,6-dimethylnonane-2,8-diamine

C11H26N2 — CID 59264321

IUPAC4,6-dimethylnonane-2,8-diamine
SMILESCC(N)CC(C)CC(C)CC(C)N
InChIInChI=1S/C11H26N2/c1-8(6-10(3)12)5-9(2)7-11(4)13/h8-11H,5-7,12-13H2,1-4H3
InChIKeyQCXFABCUEOBLNN-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.12
Rot. Bonds6

About 4,6-dimethylnonane-2,8-diamine

4,6-dimethylnonane-2,8-diamine (PubChem CID 59264321) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 4,6-dimethylnonane-2,8-diamine.

Molecular Properties

Compound Name4,6-dimethylnonane-2,8-diamine
PubChem CID59264321
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name4,6-dimethylnonane-2,8-diamine
SMILESCC(N)CC(C)CC(C)CC(C)N
InChIInChI=1S/C11H26N2/c1-8(6-10(3)12)5-9(2)7-11(4)13/h8-11H,5-7,12-13H2,1-4H3
InChIKeyQCXFABCUEOBLNN-UHFFFAOYSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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 4,6-dimethylnonane-2,8-diamine?
The IUPAC name of 4,6-dimethylnonane-2,8-diamine (CID 59264321) is 4,6-dimethylnonane-2,8-diamine.
What is the SMILES notation for 4,6-dimethylnonane-2,8-diamine?
The canonical SMILES for 4,6-dimethylnonane-2,8-diamine is CC(N)CC(C)CC(C)CC(C)N.
What is the InChIKey of 4,6-dimethylnonane-2,8-diamine?
The InChIKey is QCXFABCUEOBLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-8(6-10(3)12)5-9(2)7-11(4)13/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of 4,6-dimethylnonane-2,8-diamine?
4,6-dimethylnonane-2,8-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylnonane-2,8-diamine is sourced from PubChem (CID 59264321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).