3-methylpentane-1,2,3,4-tetramine

C6H18N4 — CID 90456195

IUPAC3-methylpentane-1,2,3,4-tetramine
SMILESCC(N)C(C)(N)C(N)CN
InChIInChI=1S/C6H18N4/c1-4(8)6(2,10)5(9)3-7/h4-5H,3,7-10H2,1-2H3
InChIKeyQUTCDGVUWYLLCW-UHFFFAOYSA-N
MW146.24 g/mol
LogP-1.66
Rot. Bonds3

About 3-methylpentane-1,2,3,4-tetramine

3-methylpentane-1,2,3,4-tetramine (PubChem CID 90456195) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is 3-methylpentane-1,2,3,4-tetramine.

Molecular Properties

Compound Name3-methylpentane-1,2,3,4-tetramine
PubChem CID90456195
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name3-methylpentane-1,2,3,4-tetramine
SMILESCC(N)C(C)(N)C(N)CN
InChIInChI=1S/C6H18N4/c1-4(8)6(2,10)5(9)3-7/h4-5H,3,7-10H2,1-2H3
InChIKeyQUTCDGVUWYLLCW-UHFFFAOYSA-N
XLogP-1.66
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentane-1,2,3,4-tetramine?
The IUPAC name of 3-methylpentane-1,2,3,4-tetramine (CID 90456195) is 3-methylpentane-1,2,3,4-tetramine.
What is the SMILES notation for 3-methylpentane-1,2,3,4-tetramine?
The canonical SMILES for 3-methylpentane-1,2,3,4-tetramine is CC(N)C(C)(N)C(N)CN.
What is the InChIKey of 3-methylpentane-1,2,3,4-tetramine?
The InChIKey is QUTCDGVUWYLLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-4(8)6(2,10)5(9)3-7/h4-5H,3,7-10H2,1-2H3.
What are the key properties of 3-methylpentane-1,2,3,4-tetramine?
3-methylpentane-1,2,3,4-tetramine has a molecular weight of 146.24 g/mol, XLogP of -1.66, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentane-1,2,3,4-tetramine is sourced from PubChem (CID 90456195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).