N-(2-chloroprop-2-enyl)adamantan-1-amine

C13H20ClN — CID 60874125

IUPACN-(2-chloroprop-2-enyl)adamantan-1-amine
SMILESC=C(Cl)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20ClN/c1-9(14)8-15-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12,15H,1-8H2
InChIKeySVHOEHDWSNDGJA-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.30
Rot. Bonds3

About N-(2-chloroprop-2-enyl)adamantan-1-amine

N-(2-chloroprop-2-enyl)adamantan-1-amine (PubChem CID 60874125) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)adamantan-1-amine
PubChem CID60874125
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-(2-chloroprop-2-enyl)adamantan-1-amine
SMILESC=C(Cl)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20ClN/c1-9(14)8-15-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12,15H,1-8H2
InChIKeySVHOEHDWSNDGJA-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)adamantan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)adamantan-1-amine (CID 60874125) is N-(2-chloroprop-2-enyl)adamantan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)adamantan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)adamantan-1-amine is C=C(Cl)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-chloroprop-2-enyl)adamantan-1-amine?
The InChIKey is SVHOEHDWSNDGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-9(14)8-15-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12,15H,1-8H2.
What are the key properties of N-(2-chloroprop-2-enyl)adamantan-1-amine?
N-(2-chloroprop-2-enyl)adamantan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.30, 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)adamantan-1-amine is sourced from PubChem (CID 60874125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).