1-(ethylamino)-4-methyloctan-4-ol

C11H25NO — CID 142623167

IUPAC1-(ethylamino)-4-methyloctan-4-ol
SMILESCCCCC(C)(O)CCCNCC
InChIInChI=1S/C11H25NO/c1-4-6-8-11(3,13)9-7-10-12-5-2/h12-13H,4-10H2,1-3H3
InChIKeyBGPQICZWYRRWCC-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds8

About 1-(ethylamino)-4-methyloctan-4-ol

1-(ethylamino)-4-methyloctan-4-ol (PubChem CID 142623167) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(ethylamino)-4-methyloctan-4-ol.

Molecular Properties

Compound Name1-(ethylamino)-4-methyloctan-4-ol
PubChem CID142623167
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(ethylamino)-4-methyloctan-4-ol
SMILESCCCCC(C)(O)CCCNCC
InChIInChI=1S/C11H25NO/c1-4-6-8-11(3,13)9-7-10-12-5-2/h12-13H,4-10H2,1-3H3
InChIKeyBGPQICZWYRRWCC-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
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

2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
13-methylheptacosan-13-ol
CID 87343529
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
sodium;hydride;3-methylheptan-3-ol
CID 175497399
4-(ethylamino)-2-hydroxy-2-methylbutanoic acid
CID 71603959
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
ethane;N-ethylhexan-1-amine
CID 143229911
4,7-dimethylpentadecane-4,7-diol
CID 89335583
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-4-methyloctan-4-ol?
The IUPAC name of 1-(ethylamino)-4-methyloctan-4-ol (CID 142623167) is 1-(ethylamino)-4-methyloctan-4-ol.
What is the SMILES notation for 1-(ethylamino)-4-methyloctan-4-ol?
The canonical SMILES for 1-(ethylamino)-4-methyloctan-4-ol is CCCCC(C)(O)CCCNCC.
What is the InChIKey of 1-(ethylamino)-4-methyloctan-4-ol?
The InChIKey is BGPQICZWYRRWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-8-11(3,13)9-7-10-12-5-2/h12-13H,4-10H2,1-3H3.
What are the key properties of 1-(ethylamino)-4-methyloctan-4-ol?
1-(ethylamino)-4-methyloctan-4-ol has a molecular weight of 187.33 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-4-methyloctan-4-ol is sourced from PubChem (CID 142623167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).