trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine

C11H22FN — CID 126847778

IUPACtrans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
SMILESCCCCCN[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H22FN/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h10-11,13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyMWHRRSKSZZSXQS-GHMZBOCLSA-N
MW187.30 g/mol
LogP3.05
Rot. Bonds5

About trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine

trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine (PubChem CID 126847778) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
PubChem CID126847778
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Nametrans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
SMILESCCCCCN[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H22FN/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h10-11,13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyMWHRRSKSZZSXQS-GHMZBOCLSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-chloro-N-nonylcyclohexan-1-amine
CID 65025435
2-(nonylamino)cyclohexan-1-ol
CID 62360571
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577
trans-(1R,2R)-2-N-hexylcyclohexane-1,2-diamine;dihydrochloride
CID 139240198
2-(aminomethyl)-N-octylcyclopentan-1-amine
CID 115566940
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
4-fluoro-N-hexylpyrrolidin-3-amine
CID 54189504
N-dodecylcyclohexanamine
CID 3679395
2-methyl-N-octylthian-3-amine
CID 115567011

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine (CID 126847778) is trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine is CCCCCN[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine?
The InChIKey is MWHRRSKSZZSXQS-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22FN/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h10-11,13H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine?
trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine is sourced from PubChem (CID 126847778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).