N-(2,3-dichloroprop-2-enyl)adamantan-1-amine

C13H19Cl2N — CID 79168192

IUPACN-(2,3-dichloroprop-2-enyl)adamantan-1-amine
SMILESClC=C(Cl)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H19Cl2N/c14-7-12(15)8-16-13-4-9-1-10(5-13)3-11(2-9)6-13/h7,9-11,16H,1-6,8H2
InChIKeyMZAZHRSSJUZUFU-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.86
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)adamantan-1-amine

N-(2,3-dichloroprop-2-enyl)adamantan-1-amine (PubChem CID 79168192) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)adamantan-1-amine
PubChem CID79168192
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC NameN-(2,3-dichloroprop-2-enyl)adamantan-1-amine
SMILESClC=C(Cl)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H19Cl2N/c14-7-12(15)8-16-13-4-9-1-10(5-13)3-11(2-9)6-13/h7,9-11,16H,1-6,8H2
InChIKeyMZAZHRSSJUZUFU-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-allyladamantan-1-amine
CID 3010109
1-(1-Adamantyl)aminoethyl hydrochloride
CID 129858848
N-prop-2-enyladamantan-1-amine;hydrochloride
CID 70559095
N-(4-chlorobut-2-ynyl)adamantan-1-amine
CID 154132823
N-(3-chloropropyl)adamantan-1-amine
CID 154161739
1-Adamantyl(prop-2-enyl)azanium
CID 7312723
N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine
CID 60688633
N-(2-chloroprop-2-enyl)adamantan-1-amine
CID 60874125
N-(2-methylprop-2-enyl)adamantan-1-amine
CID 62331314
N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine
CID 79167142
N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
CID 79997830
N-(2-chloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
CID 80000615

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)adamantan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)adamantan-1-amine (CID 79168192) is N-(2,3-dichloroprop-2-enyl)adamantan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)adamantan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)adamantan-1-amine is ClC=C(Cl)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)adamantan-1-amine?
The InChIKey is MZAZHRSSJUZUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c14-7-12(15)8-16-13-4-9-1-10(5-13)3-11(2-9)6-13/h7,9-11,16H,1-6,8H2.
What are the key properties of N-(2,3-dichloroprop-2-enyl)adamantan-1-amine?
N-(2,3-dichloroprop-2-enyl)adamantan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)adamantan-1-amine is sourced from PubChem (CID 79168192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).