2-amino-2,4-dimethylpentane-1,4-diol

C7H17NO2 — CID 134172713

IUPAC2-amino-2,4-dimethylpentane-1,4-diol
SMILESCC(C)(O)CC(C)(N)CO
InChIInChI=1S/C7H17NO2/c1-6(2,10)4-7(3,8)5-9/h9-10H,4-5,8H2,1-3H3
InChIKeyBVLQFGZKWBKUCL-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.14
Rot. Bonds3

About 2-amino-2,4-dimethylpentane-1,4-diol

2-amino-2,4-dimethylpentane-1,4-diol (PubChem CID 134172713) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-amino-2,4-dimethylpentane-1,4-diol.

Molecular Properties

Compound Name2-amino-2,4-dimethylpentane-1,4-diol
PubChem CID134172713
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-amino-2,4-dimethylpentane-1,4-diol
SMILESCC(C)(O)CC(C)(N)CO
InChIInChI=1S/C7H17NO2/c1-6(2,10)4-7(3,8)5-9/h9-10H,4-5,8H2,1-3H3
InChIKeyBVLQFGZKWBKUCL-UHFFFAOYSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
2-amino-2-methylpropane-1,3-diol;hydrate
CID 173189946
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
CID 137482879
2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
CID 87217898
4,5-diamino-2,2,4-trimethylpentan-1-ol
CID 57016667
2-amino-2-methylpent-4-en-1-ol
CID 55291318
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
boric acid;bis(2,4-dimethylpentane-2,4-diol)
CID 158108058
2-amino-4-fluoro-2-methylpent-4-en-1-ol
CID 123426019
2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol
CID 167472768

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dimethylpentane-1,4-diol?
The IUPAC name of 2-amino-2,4-dimethylpentane-1,4-diol (CID 134172713) is 2-amino-2,4-dimethylpentane-1,4-diol.
What is the SMILES notation for 2-amino-2,4-dimethylpentane-1,4-diol?
The canonical SMILES for 2-amino-2,4-dimethylpentane-1,4-diol is CC(C)(O)CC(C)(N)CO.
What is the InChIKey of 2-amino-2,4-dimethylpentane-1,4-diol?
The InChIKey is BVLQFGZKWBKUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2,10)4-7(3,8)5-9/h9-10H,4-5,8H2,1-3H3.
What are the key properties of 2-amino-2,4-dimethylpentane-1,4-diol?
2-amino-2,4-dimethylpentane-1,4-diol has a molecular weight of 147.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-dimethylpentane-1,4-diol is sourced from PubChem (CID 134172713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).