2,2,4,4-tetramethylpentane-1,3,5-triamine

C9H23N3 — CID 88802410

IUPAC2,2,4,4-tetramethylpentane-1,3,5-triamine
SMILESCC(C)(CN)C(N)C(C)(C)CN
InChIInChI=1S/C9H23N3/c1-8(2,5-10)7(12)9(3,4)6-11/h7H,5-6,10-12H2,1-4H3
InChIKeyIIWITJXKJASKTM-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.28
Rot. Bonds4

About 2,2,4,4-tetramethylpentane-1,3,5-triamine

2,2,4,4-tetramethylpentane-1,3,5-triamine (PubChem CID 88802410) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentane-1,3,5-triamine.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentane-1,3,5-triamine
PubChem CID88802410
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name2,2,4,4-tetramethylpentane-1,3,5-triamine
SMILESCC(C)(CN)C(N)C(C)(C)CN
InChIInChI=1S/C9H23N3/c1-8(2,5-10)7(12)9(3,4)6-11/h7H,5-6,10-12H2,1-4H3
InChIKeyIIWITJXKJASKTM-UHFFFAOYSA-N
XLogP0.28
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentane-1,3,5-triamine?
The IUPAC name of 2,2,4,4-tetramethylpentane-1,3,5-triamine (CID 88802410) is 2,2,4,4-tetramethylpentane-1,3,5-triamine.
What is the SMILES notation for 2,2,4,4-tetramethylpentane-1,3,5-triamine?
The canonical SMILES for 2,2,4,4-tetramethylpentane-1,3,5-triamine is CC(C)(CN)C(N)C(C)(C)CN.
What is the InChIKey of 2,2,4,4-tetramethylpentane-1,3,5-triamine?
The InChIKey is IIWITJXKJASKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-8(2,5-10)7(12)9(3,4)6-11/h7H,5-6,10-12H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethylpentane-1,3,5-triamine?
2,2,4,4-tetramethylpentane-1,3,5-triamine has a molecular weight of 173.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentane-1,3,5-triamine is sourced from PubChem (CID 88802410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).