N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C12H20Cl2N2 — CID 79173476

IUPACN-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CC(Cl)=CCl)C1CC2CCC(C1)N2
InChIInChI=1S/C12H20Cl2N2/c1-2-16(8-9(14)7-13)12-5-10-3-4-11(6-12)15-10/h7,10-12,15H,2-6,8H2,1H3
InChIKeyPMMNMQJCJHRDFF-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.91
Rot. Bonds4

About N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 79173476) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID79173476
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC NameN-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CC(Cl)=CCl)C1CC2CCC(C1)N2
InChIInChI=1S/C12H20Cl2N2/c1-2-16(8-9(14)7-13)12-5-10-3-4-11(6-12)15-10/h7,10-12,15H,2-6,8H2,1H3
InChIKeyPMMNMQJCJHRDFF-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
CID 61230595
N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 115328464
N-ethyl-N-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231107
ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
CID 61231344
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114191604
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol
CID 63928215
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79770135
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 79173476) is N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(CC(Cl)=CCl)C1CC2CCC(C1)N2.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PMMNMQJCJHRDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2N2/c1-2-16(8-9(14)7-13)12-5-10-3-4-11(6-12)15-10/h7,10-12,15H,2-6,8H2,1H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 263.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 79173476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).