N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine

C15H24ClN — CID 60688633

IUPACN-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24ClN/c1-10(16)9-17-11(2)15-6-12-3-13(7-15)5-14(4-12)8-15/h11-14,17H,1,3-9H2,2H3
InChIKeyXHXKJAATNGYJOP-UHFFFAOYSA-N
MW253.82 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine

N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine (PubChem CID 60688633) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine
PubChem CID60688633
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24ClN/c1-10(16)9-17-11(2)15-6-12-3-13(7-15)5-14(4-12)8-15/h11-14,17H,1,3-9H2,2H3
InChIKeyXHXKJAATNGYJOP-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 53.93
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-chloroprop-2-en-1-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine (CID 60688633) is N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine is C=C(Cl)CNC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine?
The InChIKey is XHXKJAATNGYJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-10(16)9-17-11(2)15-6-12-3-13(7-15)5-14(4-12)8-15/h11-14,17H,1,3-9H2,2H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine?
N-[1-(1-adamantyl)ethyl]-2-chloroprop-2-en-1-amine has a molecular weight of 253.82 g/mol, XLogP of 3.93, 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-chloroprop-2-en-1-amine is sourced from PubChem (CID 60688633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).