(3S,4S)-2,5-dimethylhexane-3,4-diamine

C8H20N2 — CID 25191805

IUPAC(3S,4S)-2,5-dimethylhexane-3,4-diamine
SMILESCC(C)[C@H](N)[C@@H](N)C(C)C
InChIInChI=1S/C8H20N2/c1-5(2)7(9)8(10)6(3)4/h5-8H,9-10H2,1-4H3/t7-,8-/m0/s1
InChIKeyKQDYUNYMUMMKOL-YUMQZZPRSA-N
MW144.26 g/mol
LogP0.95
Rot. Bonds3

About (3S,4S)-2,5-dimethylhexane-3,4-diamine

(3S,4S)-2,5-dimethylhexane-3,4-diamine (PubChem CID 25191805) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (3S,4S)-2,5-dimethylhexane-3,4-diamine.

Molecular Properties

Compound Name(3S,4S)-2,5-dimethylhexane-3,4-diamine
PubChem CID25191805
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(3S,4S)-2,5-dimethylhexane-3,4-diamine
SMILESCC(C)[C@H](N)[C@@H](N)C(C)C
InChIInChI=1S/C8H20N2/c1-5(2)7(9)8(10)6(3)4/h5-8H,9-10H2,1-4H3/t7-,8-/m0/s1
InChIKeyKQDYUNYMUMMKOL-YUMQZZPRSA-N
XLogP0.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2,5-dimethylhexane-3,4-diamine?
The IUPAC name of (3S,4S)-2,5-dimethylhexane-3,4-diamine (CID 25191805) is (3S,4S)-2,5-dimethylhexane-3,4-diamine.
What is the SMILES notation for (3S,4S)-2,5-dimethylhexane-3,4-diamine?
The canonical SMILES for (3S,4S)-2,5-dimethylhexane-3,4-diamine is CC(C)[C@H](N)[C@@H](N)C(C)C.
What is the InChIKey of (3S,4S)-2,5-dimethylhexane-3,4-diamine?
The InChIKey is KQDYUNYMUMMKOL-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H20N2/c1-5(2)7(9)8(10)6(3)4/h5-8H,9-10H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-2,5-dimethylhexane-3,4-diamine?
(3S,4S)-2,5-dimethylhexane-3,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2,5-dimethylhexane-3,4-diamine is sourced from PubChem (CID 25191805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).