2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride

C12H28ClNO2 — CID 170893103

IUPAC2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride
SMILESCC(CCCC(C)(C)O)CCC(N)CO.Cl
InChIInChI=1S/C12H27NO2.ClH/c1-10(6-7-11(13)9-14)5-4-8-12(2,3)15;/h10-11,14-15H,4-9,13H2,1-3H3;1H
InChIKeyPCFUSRMVXDLJNB-UHFFFAOYSA-N
MW253.81 g/mol
LogP2.09
Rot. Bonds8

About 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride

2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride (PubChem CID 170893103) has the molecular formula C12H28ClNO2 and a molecular weight of 253.81 g/mol. Its IUPAC name is 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride
PubChem CID170893103
Molecular FormulaC12H28ClNO2
Molecular Weight253.81 g/mol
Exact Mass253.18
IUPAC Name2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride
SMILESCC(CCCC(C)(C)O)CCC(N)CO.Cl
InChIInChI=1S/C12H27NO2.ClH/c1-10(6-7-11(13)9-14)5-4-8-12(2,3)15;/h10-11,14-15H,4-9,13H2,1-3H3;1H
InChIKeyPCFUSRMVXDLJNB-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.81
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride?
The IUPAC name of 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride (CID 170893103) is 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride.
What is the SMILES notation for 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride?
The canonical SMILES for 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride is CC(CCCC(C)(C)O)CCC(N)CO.Cl.
What is the InChIKey of 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride?
The InChIKey is PCFUSRMVXDLJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2.ClH/c1-10(6-7-11(13)9-14)5-4-8-12(2,3)15;/h10-11,14-15H,4-9,13H2,1-3H3;1H.
What are the key properties of 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride?
2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride has a molecular weight of 253.81 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride is sourced from PubChem (CID 170893103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).