N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine

C15H23Cl2N — CID 79167142

IUPACN-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23Cl2N/c1-10(18-9-14(17)8-16)15-5-11-2-12(6-15)4-13(3-11)7-15/h8,10-13,18H,2-7,9H2,1H3
InChIKeyWXXYCKDAZYDWBN-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.50
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine

N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine (PubChem CID 79167142) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine
PubChem CID79167142
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC NameN-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23Cl2N/c1-10(18-9-14(17)8-16)15-5-11-2-12(6-15)4-13(3-11)7-15/h8,10-13,18H,2-7,9H2,1H3
InChIKeyWXXYCKDAZYDWBN-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine (CID 79167142) is N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine is CC(NCC(Cl)=CCl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine?
The InChIKey is WXXYCKDAZYDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-10(18-9-14(17)8-16)15-5-11-2-12(6-15)4-13(3-11)7-15/h8,10-13,18H,2-7,9H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine?
N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine has a molecular weight of 288.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2,3-dichloroprop-2-en-1-amine is sourced from PubChem (CID 79167142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).