1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol

C13H28N2O — CID 64818975

IUPAC1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN1CCCCCCC1
InChIInChI=1S/C13H28N2O/c1-13(16,12-14)8-7-11-15-9-5-3-2-4-6-10-15/h16H,2-12,14H2,1H3
InChIKeyFSDSEUDABCJQFL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.74
Rot. Bonds5

About 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol

1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol (PubChem CID 64818975) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
PubChem CID64818975
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN1CCCCCCC1
InChIInChI=1S/C13H28N2O/c1-13(16,12-14)8-7-11-15-9-5-3-2-4-6-10-15/h16H,2-12,14H2,1H3
InChIKeyFSDSEUDABCJQFL-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol
CID 106811372
1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64820276
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-amino-2-methylpentan-2-ol
CID 64818657
1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818942
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
1-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-2-ol
CID 104692759
1-amino-2-methyl-6-(2-methylpiperidin-1-yl)hexan-2-ol
CID 64818983
1-amino-6-(3,5-dimethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818763

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol (CID 64818975) is 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol is CC(O)(CN)CCCN1CCCCCCC1.
What is the InChIKey of 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol?
The InChIKey is FSDSEUDABCJQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(16,12-14)8-7-11-15-9-5-3-2-4-6-10-15/h16H,2-12,14H2,1H3.
What are the key properties of 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol?
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 64818975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).