6-methylheptane-1,2,3,7-tetramine

C8H22N4 — CID 91329545

IUPAC6-methylheptane-1,2,3,7-tetramine
SMILESCC(CN)CCC(N)C(N)CN
InChIInChI=1S/C8H22N4/c1-6(4-9)2-3-7(11)8(12)5-10/h6-8H,2-5,9-12H2,1H3
InChIKeyZWGFEKUEARHFHG-UHFFFAOYSA-N
MW174.29 g/mol
LogP-1.03
Rot. Bonds6

About 6-methylheptane-1,2,3,7-tetramine

6-methylheptane-1,2,3,7-tetramine (PubChem CID 91329545) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 6-methylheptane-1,2,3,7-tetramine.

Molecular Properties

Compound Name6-methylheptane-1,2,3,7-tetramine
PubChem CID91329545
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name6-methylheptane-1,2,3,7-tetramine
SMILESCC(CN)CCC(N)C(N)CN
InChIInChI=1S/C8H22N4/c1-6(4-9)2-3-7(11)8(12)5-10/h6-8H,2-5,9-12H2,1H3
InChIKeyZWGFEKUEARHFHG-UHFFFAOYSA-N
XLogP-1.03
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylheptane-1,2,3,7-tetramine?
The IUPAC name of 6-methylheptane-1,2,3,7-tetramine (CID 91329545) is 6-methylheptane-1,2,3,7-tetramine.
What is the SMILES notation for 6-methylheptane-1,2,3,7-tetramine?
The canonical SMILES for 6-methylheptane-1,2,3,7-tetramine is CC(CN)CCC(N)C(N)CN.
What is the InChIKey of 6-methylheptane-1,2,3,7-tetramine?
The InChIKey is ZWGFEKUEARHFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-6(4-9)2-3-7(11)8(12)5-10/h6-8H,2-5,9-12H2,1H3.
What are the key properties of 6-methylheptane-1,2,3,7-tetramine?
6-methylheptane-1,2,3,7-tetramine has a molecular weight of 174.29 g/mol, XLogP of -1.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptane-1,2,3,7-tetramine is sourced from PubChem (CID 91329545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).