8-amino-7-methyloctan-1-ol

C9H21NO — CID 139899445

IUPAC8-amino-7-methyloctan-1-ol
SMILESCC(CN)CCCCCCO
InChIInChI=1S/C9H21NO/c1-9(8-10)6-4-2-3-5-7-11/h9,11H,2-8,10H2,1H3
InChIKeyNABMGXLZZKEPRK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds7

About 8-amino-7-methyloctan-1-ol

8-amino-7-methyloctan-1-ol (PubChem CID 139899445) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 8-amino-7-methyloctan-1-ol.

Molecular Properties

Compound Name8-amino-7-methyloctan-1-ol
PubChem CID139899445
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name8-amino-7-methyloctan-1-ol
SMILESCC(CN)CCCCCCO
InChIInChI=1S/C9H21NO/c1-9(8-10)6-4-2-3-5-7-11/h9,11H,2-8,10H2,1H3
InChIKeyNABMGXLZZKEPRK-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8,12-dimethylicosane-1,20-diol
CID 170848864
9-amino-5-methylnonan-1-ol
CID 57209196
3-methyldecane-1,10-diol
CID 22596513
(11S)-11-methyltridecan-1-ol
CID 71389600
2-methylnonan-1-amine
CID 21396878
(7S)-7-methylnonan-1-ol
CID 11105641
2-methyltricosan-1-amine
CID 87547792
(10S)-10-methyldodecan-1-ol
CID 11715372
14-methylhexadecan-1-ol
CID 5283264
2-methyloctadecan-1-amine
CID 56980469
10-methylhexadecan-1-ol
CID 10244159
2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-methyloctan-1-ol?
The IUPAC name of 8-amino-7-methyloctan-1-ol (CID 139899445) is 8-amino-7-methyloctan-1-ol.
What is the SMILES notation for 8-amino-7-methyloctan-1-ol?
The canonical SMILES for 8-amino-7-methyloctan-1-ol is CC(CN)CCCCCCO.
What is the InChIKey of 8-amino-7-methyloctan-1-ol?
The InChIKey is NABMGXLZZKEPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(8-10)6-4-2-3-5-7-11/h9,11H,2-8,10H2,1H3.
What are the key properties of 8-amino-7-methyloctan-1-ol?
8-amino-7-methyloctan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methyloctan-1-ol is sourced from PubChem (CID 139899445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).