1-amino-5-methylheptan-2-ol

C8H19NO — CID 54546021

IUPAC1-amino-5-methylheptan-2-ol
SMILESCCC(C)CCC(O)CN
InChIInChI=1S/C8H19NO/c1-3-7(2)4-5-8(10)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyZGOZPBHYIFEGNH-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About 1-amino-5-methylheptan-2-ol

1-amino-5-methylheptan-2-ol (PubChem CID 54546021) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-amino-5-methylheptan-2-ol.

Molecular Properties

Compound Name1-amino-5-methylheptan-2-ol
PubChem CID54546021
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-amino-5-methylheptan-2-ol
SMILESCCC(C)CCC(O)CN
InChIInChI=1S/C8H19NO/c1-3-7(2)4-5-8(10)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyZGOZPBHYIFEGNH-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-6-methylheptan-3-ol
CID 87174577
(7S)-2,2,7-trimethylnonan-4-ol
CID 168764974
1,7-diamino-6-methylheptan-3-ol
CID 88669461
1-amino-2,5-dimethylheptan-1-ol
CID 123488393
3-hydroxy-6-methyloctanoate
CID 23176792
(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
CID 142755438
5-hydroxy-2,8-dimethyldecan-3-one
CID 155640629
1-amino-4-[butan-2-yl(ethyl)amino]butan-2-ol
CID 64821778
6-aminohexane-1,2,5-triol
CID 19694623
2-ethyl-5-methylheptane-1,1-diol
CID 141178551
7-methylnonan-3-ol
CID 64515833
1-aminobutan-2-ol;3-aminobutan-2-ol
CID 159145044

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methylheptan-2-ol?
The IUPAC name of 1-amino-5-methylheptan-2-ol (CID 54546021) is 1-amino-5-methylheptan-2-ol.
What is the SMILES notation for 1-amino-5-methylheptan-2-ol?
The canonical SMILES for 1-amino-5-methylheptan-2-ol is CCC(C)CCC(O)CN.
What is the InChIKey of 1-amino-5-methylheptan-2-ol?
The InChIKey is ZGOZPBHYIFEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-7(2)4-5-8(10)6-9/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-amino-5-methylheptan-2-ol?
1-amino-5-methylheptan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylheptan-2-ol is sourced from PubChem (CID 54546021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).