N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine

C11H18ClN — CID 130614419

IUPACN-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine
SMILESC=C(Cl)CNC1CC2CCC1CC2
InChIInChI=1S/C11H18ClN/c1-8(12)7-13-11-6-9-2-4-10(11)5-3-9/h9-11,13H,1-7H2
InChIKeyNFWUPDUXSJITKJ-UHFFFAOYSA-N
MW199.72 g/mol
LogP2.91
Rot. Bonds3

About N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine

N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine (PubChem CID 130614419) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine
PubChem CID130614419
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC NameN-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine
SMILESC=C(Cl)CNC1CC2CCC1CC2
InChIInChI=1S/C11H18ClN/c1-8(12)7-13-11-6-9-2-4-10(11)5-3-9/h9-11,13H,1-7H2
InChIKeyNFWUPDUXSJITKJ-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
CID 60688914
N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine
CID 130621528
N'-(2-bicyclo[2.2.2]octanyl)ethane-1,2-diamine
CID 130691244
ethyl 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]prop-2-enoate
CID 103254729
N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 21444290
methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
CID 61309137
2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
CID 98119461
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine
CID 170364736
4-(2-bicyclo[2.2.1]heptanylamino)-3-methylbut-2-enoic acid
CID 103254707
N-(2-chloroprop-2-enyl)-1,1-dioxothian-4-amine
CID 60871661
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine (CID 130614419) is N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine is C=C(Cl)CNC1CC2CCC1CC2.
What is the InChIKey of N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine?
The InChIKey is NFWUPDUXSJITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN/c1-8(12)7-13-11-6-9-2-4-10(11)5-3-9/h9-11,13H,1-7H2.
What are the key properties of N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine?
N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine has a molecular weight of 199.72 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 130614419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).