(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine

C10H24N2 — CID 11105831

IUPAC(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine
SMILESCC(C)(C)[C@@H](N)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-9(2,3)7(11)8(12)10(4,5)6/h7-8H,11-12H2,1-6H3/t7-,8-/m0/s1
InChIKeyWROMFDZPVVQJRK-YUMQZZPRSA-N
MW172.32 g/mol
LogP1.73
Rot. Bonds1

About (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine

(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine (PubChem CID 11105831) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine
PubChem CID11105831
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine
SMILESCC(C)(C)[C@@H](N)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-9(2,3)7(11)8(12)10(4,5)6/h7-8H,11-12H2,1-6H3/t7-,8-/m0/s1
InChIKeyWROMFDZPVVQJRK-YUMQZZPRSA-N
XLogP1.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethylbutane-1,2-diamine
CID 5201578
(3S,4S)-2,5-Dimethylhexane-3,4-diamine dihydrochloride
CID 25191804
(3S,4S)-2,5-Dimethylhexane-3,4-diamine
CID 25191805
(3S,4S)-(+)-2,5-Dimethyl-3,4-hexanediamine dihydrochloride
CID 74404306
4,4-Dimethylpentane-1,2-diamine dihydrochloride
CID 91662941
4,4-Dimethylpentane-1,2-diamine
CID 62952309
2,2,5,5-Tetramethylhexane-3,4-diamine
CID 18175385
Tetramethyl diaminobutane
CID 23202045
2-tert-Butyl-3,3-dimethylbutane-1,2-diamine
CID 23439592
(3R)-2,2-dimethylheptan-3-amine
CID 55289199
2,5-Dimethylhexane-3,4-diamine
CID 13529741
4,4-Dimethylpentan-2-amine
CID 17889219

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine?
The IUPAC name of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine (CID 11105831) is (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine.
What is the SMILES notation for (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine?
The canonical SMILES for (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine is CC(C)(C)[C@@H](N)[C@H](N)C(C)(C)C.
What is the InChIKey of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine?
The InChIKey is WROMFDZPVVQJRK-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(2,3)7(11)8(12)10(4,5)6/h7-8H,11-12H2,1-6H3/t7-,8-/m0/s1.
What are the key properties of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine?
(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diamine is sourced from PubChem (CID 11105831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).