4-fluoro-4-nonylcyclohexan-1-amine

C15H30FN — CID 112562508

IUPAC4-fluoro-4-nonylcyclohexan-1-amine
SMILESCCCCCCCCCC1(F)CCC(N)CC1
InChIInChI=1S/C15H30FN/c1-2-3-4-5-6-7-8-11-15(16)12-9-14(17)10-13-15/h14H,2-13,17H2,1H3
InChIKeyPOTKDPYHSAKPBP-UHFFFAOYSA-N
MW243.41 g/mol
LogP4.74
Rot. Bonds8

About 4-fluoro-4-nonylcyclohexan-1-amine

4-fluoro-4-nonylcyclohexan-1-amine (PubChem CID 112562508) has the molecular formula C15H30FN and a molecular weight of 243.41 g/mol. Its IUPAC name is 4-fluoro-4-nonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-nonylcyclohexan-1-amine
PubChem CID112562508
Molecular FormulaC15H30FN
Molecular Weight243.41 g/mol
Exact Mass243.24
IUPAC Name4-fluoro-4-nonylcyclohexan-1-amine
SMILESCCCCCCCCCC1(F)CCC(N)CC1
InChIInChI=1S/C15H30FN/c1-2-3-4-5-6-7-8-11-15(16)12-9-14(17)10-13-15/h14H,2-13,17H2,1H3
InChIKeyPOTKDPYHSAKPBP-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-4-nonylcyclohexan-1-amine 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

4-fluoro-4-(propoxymethyl)cyclohexan-1-amine
CID 112562319
4-methylcyclohexan-1-amine;undecane
CID 175032759
1-(4-fluoro-4-octylcyclohexyl)-4-octoxybenzene
CID 67859754
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
1-decylcyclopropan-1-amine
CID 66023987
1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 67922495
4-hexyl-1-azabicyclo[2.2.2]octan-2-amine
CID 21224575
1-(bromomethyl)-4-butyl-1-octylcyclohexane
CID 66047977
4-docosyl-1-azabicyclo[2.2.2]octan-2-amine
CID 21224616
4-(aminomethyl)-1-pentylcyclohexan-1-amine
CID 69228724
1-decyl-4-ethylcyclohexan-1-ol
CID 65147378
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-nonylcyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-nonylcyclohexan-1-amine (CID 112562508) is 4-fluoro-4-nonylcyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-nonylcyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-nonylcyclohexan-1-amine is CCCCCCCCCC1(F)CCC(N)CC1.
What is the InChIKey of 4-fluoro-4-nonylcyclohexan-1-amine?
The InChIKey is POTKDPYHSAKPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN/c1-2-3-4-5-6-7-8-11-15(16)12-9-14(17)10-13-15/h14H,2-13,17H2,1H3.
What are the key properties of 4-fluoro-4-nonylcyclohexan-1-amine?
4-fluoro-4-nonylcyclohexan-1-amine has a molecular weight of 243.41 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-nonylcyclohexan-1-amine is sourced from PubChem (CID 112562508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).