5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol

C10H22FNO — CID 106147019

IUPAC5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCCCF
InChIInChI=1S/C10H22FNO/c1-10(2,5-3-8-13)9-12-7-4-6-11/h12-13H,3-9H2,1-2H3
InChIKeyTYYZJPSQIGWGTD-UHFFFAOYSA-N
MW191.29 g/mol
LogP1.73
Rot. Bonds8

About 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol

5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147019) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147019
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCCCF
InChIInChI=1S/C10H22FNO/c1-10(2,5-3-8-13)9-12-7-4-6-11/h12-13H,3-9H2,1-2H3
InChIKeyTYYZJPSQIGWGTD-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106148665
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol (CID 106147019) is 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCCCF.
What is the InChIKey of 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is TYYZJPSQIGWGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-10(2,5-3-8-13)9-12-7-4-6-11/h12-13H,3-9H2,1-2H3.
What are the key properties of 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol?
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 191.29 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).