(2R)-1-N,1-N,4-trimethylpentane-1,2-diamine

C8H20N2 — CID 28599418

IUPAC(2R)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)C[C@@H](N)CN(C)C
InChIInChI=1S/C8H20N2/c1-7(2)5-8(9)6-10(3)4/h7-8H,5-6,9H2,1-4H3/t8-/m1/s1
InChIKeySYGGWSCXCCJJFT-MRVPVSSYSA-N
MW144.26 g/mol
LogP0.92
Rot. Bonds4

About (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine

(2R)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 28599418) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID28599418
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2R)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)C[C@@H](N)CN(C)C
InChIInChI=1S/C8H20N2/c1-7(2)5-8(9)6-10(3)4/h7-8H,5-6,9H2,1-4H3/t8-/m1/s1
InChIKeySYGGWSCXCCJJFT-MRVPVSSYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 28599418) is (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)C[C@@H](N)CN(C)C.
What is the InChIKey of (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is SYGGWSCXCCJJFT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(2)5-8(9)6-10(3)4/h7-8H,5-6,9H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine?
(2R)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 28599418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).