3-(methylamino)octan-2-ol

C9H21NO — CID 166770320

IUPAC3-(methylamino)octan-2-ol
SMILESCCCCCC(NC)C(C)O
InChIInChI=1S/C9H21NO/c1-4-5-6-7-9(10-3)8(2)11/h8-11H,4-7H2,1-3H3
InChIKeyWRJWDPBNKAZMRB-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds6

About 3-(methylamino)octan-2-ol

3-(methylamino)octan-2-ol (PubChem CID 166770320) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-(methylamino)octan-2-ol.

Molecular Properties

Compound Name3-(methylamino)octan-2-ol
PubChem CID166770320
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-(methylamino)octan-2-ol
SMILESCCCCCC(NC)C(C)O
InChIInChI=1S/C9H21NO/c1-4-5-6-7-9(10-3)8(2)11/h8-11H,4-7H2,1-3H3
InChIKeyWRJWDPBNKAZMRB-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
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

3-ethyl-N-methylnonan-4-amine
CID 115837459
N,2-dimethyl-1-methylsulfanyltridecan-3-amine
CID 114221941
1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
2-methyl-4-(methylamino)nonan-5-ol
CID 58233630
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine
CID 103311819
(2R)-heptan-2-ol
CID 6992611
3-(2-hydroxyoctadecan-3-ylamino)propyl-trimethylazanium
CID 167442613
N-methyltetradecan-2-amine
CID 54073704
(2R,3S)-dodecane-2,3-diol
CID 163394646
octane-2,3-diol;hydrochloride
CID 175007054
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
4-methoxy-N-methyldecan-5-amine
CID 116718740

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)octan-2-ol?
The IUPAC name of 3-(methylamino)octan-2-ol (CID 166770320) is 3-(methylamino)octan-2-ol.
What is the SMILES notation for 3-(methylamino)octan-2-ol?
The canonical SMILES for 3-(methylamino)octan-2-ol is CCCCCC(NC)C(C)O.
What is the InChIKey of 3-(methylamino)octan-2-ol?
The InChIKey is WRJWDPBNKAZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-6-7-9(10-3)8(2)11/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-(methylamino)octan-2-ol?
3-(methylamino)octan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)octan-2-ol is sourced from PubChem (CID 166770320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).