2-amino-5,5-dimethylhexane-1,4-diol

C8H19NO2 — CID 112756513

IUPAC2-amino-5,5-dimethylhexane-1,4-diol
SMILESCC(C)(C)C(O)CC(N)CO
InChIInChI=1S/C8H19NO2/c1-8(2,3)7(11)4-6(9)5-10/h6-7,10-11H,4-5,9H2,1-3H3
InChIKeyGRCRCCUSCPIVLC-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.10
Rot. Bonds3

About 2-amino-5,5-dimethylhexane-1,4-diol

2-amino-5,5-dimethylhexane-1,4-diol (PubChem CID 112756513) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-amino-5,5-dimethylhexane-1,4-diol.

Molecular Properties

Compound Name2-amino-5,5-dimethylhexane-1,4-diol
PubChem CID112756513
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-amino-5,5-dimethylhexane-1,4-diol
SMILESCC(C)(C)C(O)CC(N)CO
InChIInChI=1S/C8H19NO2/c1-8(2,3)7(11)4-6(9)5-10/h6-7,10-11H,4-5,9H2,1-3H3
InChIKeyGRCRCCUSCPIVLC-UHFFFAOYSA-N
XLogP0.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,5-dimethylhexan-1-ol hydrochloride
CID 55254359
5-Amino-2,2-dimethylhexan-3-ol
CID 13510944
5-Amino-2,2,6,6-tetramethylheptan-3-ol
CID 18738413
3-Amino-2,2-dimethylhexan-1-ol
CID 20384482
2-Amino-3,3-dimethylhexan-1-ol
CID 22218791
2-Amino-5,5-dimethylhexan-1-ol
CID 55254360
3-Amino-2-(hydroxymethyl)-2-methyldecane-1,4-diol
CID 57003108
3-Amino-2-ethyl-2-(hydroxymethyl)decane-1,4-diol
CID 57134027
(3RS,4S)-4-amino-2,2-dimethyl-hexan-3-ol
CID 57714146
(3RS,4R)-4-amino-2,2-dimethyl-hexan-3-ol
CID 57714163
(2S)-2-amino-5,5-dimethylhexan-1-ol
CID 58308162
(3R)-3-amino-5,5-dimethylhexan-1-ol
CID 58554650

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethylhexane-1,4-diol?
The IUPAC name of 2-amino-5,5-dimethylhexane-1,4-diol (CID 112756513) is 2-amino-5,5-dimethylhexane-1,4-diol.
What is the SMILES notation for 2-amino-5,5-dimethylhexane-1,4-diol?
The canonical SMILES for 2-amino-5,5-dimethylhexane-1,4-diol is CC(C)(C)C(O)CC(N)CO.
What is the InChIKey of 2-amino-5,5-dimethylhexane-1,4-diol?
The InChIKey is GRCRCCUSCPIVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2,3)7(11)4-6(9)5-10/h6-7,10-11H,4-5,9H2,1-3H3.
What are the key properties of 2-amino-5,5-dimethylhexane-1,4-diol?
2-amino-5,5-dimethylhexane-1,4-diol has a molecular weight of 161.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethylhexane-1,4-diol is sourced from PubChem (CID 112756513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).