N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine

C12H18FNO — CID 126856369

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine
SMILESFC1COCC1NCC1CC2C=CC1C2
InChIInChI=1S/C12H18FNO/c13-11-6-15-7-12(11)14-5-10-4-8-1-2-9(10)3-8/h1-2,8-12,14H,3-7H2
InChIKeyURMNHPMKBFSXQJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.53
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine (PubChem CID 126856369) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine
PubChem CID126856369
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine
SMILESFC1COCC1NCC1CC2C=CC1C2
InChIInChI=1S/C12H18FNO/c13-11-6-15-7-12(11)14-5-10-4-8-1-2-9(10)3-8/h1-2,8-12,14H,3-7H2
InChIKeyURMNHPMKBFSXQJ-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyloxolan-3-amine
CID 115768843
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine
CID 126847893
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpiperidin-4-amine
CID 113253498
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115685818
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
CID 124527653
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine
CID 102610282

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine (CID 126856369) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine is FC1COCC1NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine?
The InChIKey is URMNHPMKBFSXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c13-11-6-15-7-12(11)14-5-10-4-8-1-2-9(10)3-8/h1-2,8-12,14H,3-7H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine has a molecular weight of 211.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine is sourced from PubChem (CID 126856369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).