(4R,5R)-octane-4,5-diamine

C8H20N2 — CID 13138963

IUPAC(4R,5R)-octane-4,5-diamine
SMILESCCC[C@@H](N)[C@H](N)CCC
InChIInChI=1S/C8H20N2/c1-3-5-7(9)8(10)6-4-2/h7-8H,3-6,9-10H2,1-2H3/t7-,8-/m1/s1
InChIKeyNHOGRGYHBHZMIL-HTQZYQBOSA-N
MW144.26 g/mol
LogP1.24
Rot. Bonds5

About (4R,5R)-octane-4,5-diamine

(4R,5R)-octane-4,5-diamine (PubChem CID 13138963) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (4R,5R)-octane-4,5-diamine.

Molecular Properties

Compound Name(4R,5R)-octane-4,5-diamine
PubChem CID13138963
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(4R,5R)-octane-4,5-diamine
SMILESCCC[C@@H](N)[C@H](N)CCC
InChIInChI=1S/C8H20N2/c1-3-5-7(9)8(10)6-4-2/h7-8H,3-6,9-10H2,1-2H3/t7-,8-/m1/s1
InChIKeyNHOGRGYHBHZMIL-HTQZYQBOSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hexadecane-4,5-diamine
CID 57310882
4,5-diaminooctan-1-ol
CID 87063615
5,7-dimethyloctan-4-amine
CID 83047107
2-N,2-N-dimethylhexane-2,3-diamine
CID 82417789
hexadecane-6,7-diamine
CID 57245820
hexatriacontane-18,19-diamine
CID 57054547
tritriacontane-16,17-diamine
CID 57106039
azane;heptan-4-amine
CID 118430725
(2S)-pentan-2-amine
CID 6997344
butane-1,1-diamine;copper
CID 158312531
butane-1,1-diamine;platinum
CID 88509821
2-propan-2-ylhexane-1,3-diamine
CID 116945703

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-octane-4,5-diamine?
The IUPAC name of (4R,5R)-octane-4,5-diamine (CID 13138963) is (4R,5R)-octane-4,5-diamine.
What is the SMILES notation for (4R,5R)-octane-4,5-diamine?
The canonical SMILES for (4R,5R)-octane-4,5-diamine is CCC[C@@H](N)[C@H](N)CCC.
What is the InChIKey of (4R,5R)-octane-4,5-diamine?
The InChIKey is NHOGRGYHBHZMIL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-5-7(9)8(10)6-4-2/h7-8H,3-6,9-10H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-octane-4,5-diamine?
(4R,5R)-octane-4,5-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-octane-4,5-diamine is sourced from PubChem (CID 13138963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).