(4S)-4-bromocyclooctan-1-amine

C8H16BrN — CID 121248296

IUPAC(4S)-4-bromocyclooctan-1-amine
SMILESNC1CCCC[C@H](Br)CC1
InChIInChI=1S/C8H16BrN/c9-7-3-1-2-4-8(10)6-5-7/h7-8H,1-6,10H2/t7-,8?/m0/s1
InChIKeyCXVSILZFKUMKLX-JAMMHHFISA-N
MW206.13 g/mol
LogP2.43
Rot. Bonds

About (4S)-4-bromocyclooctan-1-amine

(4S)-4-bromocyclooctan-1-amine (PubChem CID 121248296) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is (4S)-4-bromocyclooctan-1-amine.

Molecular Properties

Compound Name(4S)-4-bromocyclooctan-1-amine
PubChem CID121248296
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name(4S)-4-bromocyclooctan-1-amine
SMILESNC1CCCC[C@H](Br)CC1
InChIInChI=1S/C8H16BrN/c9-7-3-1-2-4-8(10)6-5-7/h7-8H,1-6,10H2/t7-,8?/m0/s1
InChIKeyCXVSILZFKUMKLX-JAMMHHFISA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;cyclopentanamine
CID 69254255
CID 175698442
CID 175698442
cyclopentanamine;platinum(2+)
CID 21144800
bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))
CID 162267814
azane;cycloheptanamine
CID 135353953
1,4,7,10-tetrabromocyclododecane
CID 101410229
carbanide;cyclododecanamine;titanium(2+)
CID 174995468
cyclohexanamine;thiohydroxylamine
CID 143520299
bis(cycloheptanamine);platinum(2+);dichloride
CID 3038593
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
(1,2,3-13C3)cyclopropanamine
CID 76972988
CID 88858734
CID 88858734

Frequently Asked Questions

What is the IUPAC name of (4S)-4-bromocyclooctan-1-amine?
The IUPAC name of (4S)-4-bromocyclooctan-1-amine (CID 121248296) is (4S)-4-bromocyclooctan-1-amine.
What is the SMILES notation for (4S)-4-bromocyclooctan-1-amine?
The canonical SMILES for (4S)-4-bromocyclooctan-1-amine is NC1CCCC[C@H](Br)CC1.
What is the InChIKey of (4S)-4-bromocyclooctan-1-amine?
The InChIKey is CXVSILZFKUMKLX-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16BrN/c9-7-3-1-2-4-8(10)6-5-7/h7-8H,1-6,10H2/t7-,8?/m0/s1.
What are the key properties of (4S)-4-bromocyclooctan-1-amine?
(4S)-4-bromocyclooctan-1-amine has a molecular weight of 206.13 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-bromocyclooctan-1-amine is sourced from PubChem (CID 121248296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).