7-amino-6-methylheptan-3-ol

C8H19NO — CID 87174577

IUPAC7-amino-6-methylheptan-3-ol
SMILESCCC(O)CCC(C)CN
InChIInChI=1S/C8H19NO/c1-3-8(10)5-4-7(2)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUQBLDXVEUSPCJT-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About 7-amino-6-methylheptan-3-ol

7-amino-6-methylheptan-3-ol (PubChem CID 87174577) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 7-amino-6-methylheptan-3-ol.

Molecular Properties

Compound Name7-amino-6-methylheptan-3-ol
PubChem CID87174577
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name7-amino-6-methylheptan-3-ol
SMILESCCC(O)CCC(C)CN
InChIInChI=1S/C8H19NO/c1-3-8(10)5-4-7(2)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUQBLDXVEUSPCJT-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

1-amino-5-methylheptan-2-ol
CID 54546021
1,7-diamino-6-methylheptan-3-ol
CID 88669461
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
octane-2,3,6-triol
CID 90779093
2-methylhexane-1,5-diamine
CID 18314368
1-aminobutan-2-ol;3-aminobutan-2-ol
CID 159145044
7-methylnonan-3-ol
CID 64515833
5-methyloctan-3-ol
CID 19931017
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
nonane-3,7-diol
CID 22141483
(2S)-2-methylbutane-1,4-diamine
CID 51382069

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methylheptan-3-ol?
The IUPAC name of 7-amino-6-methylheptan-3-ol (CID 87174577) is 7-amino-6-methylheptan-3-ol.
What is the SMILES notation for 7-amino-6-methylheptan-3-ol?
The canonical SMILES for 7-amino-6-methylheptan-3-ol is CCC(O)CCC(C)CN.
What is the InChIKey of 7-amino-6-methylheptan-3-ol?
The InChIKey is UQBLDXVEUSPCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-8(10)5-4-7(2)6-9/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 7-amino-6-methylheptan-3-ol?
7-amino-6-methylheptan-3-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 7-amino-6-methylheptan-3-ol is sourced from PubChem (CID 87174577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).